Name: Name:(6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate
Brand: Angene
SKU: AG00I5WV
Rating: 90 (10 reviews)

(6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

CAS No.:

313369-25-4

Catalog Number:

AG00I5WV

Molecular Formula:

C17H21N3O3

Molecular Weight:

315.3669

Catalog Number:

AG00I5WV

Chemical Name:

(6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

CAS Number:

313369-25-4

Molecular Formula:

C17H21N3O3

Molecular Weight:

315.3669

MDL Number:

MFCD30730051

IUPAC Name:

ethyl (10R,15S)-4-methyl-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate

InChI:

InChI=1S/C17H21N3O3/c1-3-23-17(22)19-8-7-13-12(9-19)11-5-4-6-14-16(11)20(13)10-15(21)18(14)2/h4-6,12-13H,3,7-10H2,1-2H3/t12-,13-/m0/s1

InChI Key:

FAGHUWIRBRMPCV-STQMWFEESA-N

SMILES:

CCOC(=O)N1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC(=O)N3C

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

315.373g/mol

Monoisotopic Mass:

315.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5