Catalog Number:
AG01ENX2
Chemical Name:
E-7386
CAS Number:
1799824-08-0
Molecular Formula:
C39H48FN9O4
Molecular Weight:
725.8547
MDL Number:
MFCD31619284
IUPAC Name:
(6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
InChI:
InChI=1S/C39H48FN9O4/c1-3-15-47-27-37(51)48-34(20-29-13-14-32(50)21-33(29)40)38(52)46(26-36(48)49(47)39(53)41-22-28-9-6-5-7-10-28)23-30-11-8-12-35(42-30)45-24-31(25-45)44-18-16-43(4-2)17-19-44/h3,5-14,21,31,34,36,50H,1,4,15-20,22-27H2,2H3,(H,41,53)/t34-,36-/m0/s1
InChI Key:
ZGNKNLOBYFTGRG-GIWKVKTRSA-N
SMILES:
C=CCN1CC(=O)N2[C@@H](N1C(=O)NCc1ccccc1)CN(C(=O)[C@@H]2Cc1ccc(cc1F)O)Cc1cccc(n1)N1CC(C1)N1CCN(CC1)CC
UNII:
I0DX1FG55Y
