(6S,9aR)-6-[(4-hydroxyphenyl)methyl]-2-methyl-8-[[3-[methyl(propan-2-yl)amino]phenyl]methyl]-4,7-bis(oxidanylidene)-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

Systemtic Name: (6S,9aR)-6-[(4-hydroxyphenyl)methyl]-2-methyl-8-[[3-[methyl(propan-2-yl)amino]phenyl]methyl]-4,7-bis(oxidanylidene)-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Openeye Name: (6S,9aR)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[[3-[isopropyl(methyl)amino]phenyl]methyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide CAS Name: (6S,9aR)-6-[(4-hydroxyphenyl)methyl]-2-methyl-8-[[3-[methyl(propan-2-yl)amino]phenyl]methyl]-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide IUPAC Name: (6S,9aR)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-2-methyl-8-[[3-[methyl(propan-2-yl)amino]phenyl]methyl]-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Traditional Name: (6S,9aR)-N-benzyl-6-(4-hydroxybenzyl)-8-[3-[isopropyl(methyl)amino]benzyl]-4,7-diketo-2-methyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Formula: C33H40N6O4 MolecularWeight: 584.7085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C1=CC=CC(=C1)CN2CC3N(C(C2=O)CC4=CC=C(C=C4)O)C(=O)CN(N3C(=O)NCC5=CC=CC=C5)C

Isomeric SMILES

CC(C)N(C)C1=CC=CC(=C1)CN2C[C@@H]3N([C@H](C2=O)CC4=CC=C(C=C4)O)C(=O)CN(N3C(=O)NCC5=CC=CC=C5)C

InChI

InChI=1S/C33H40N6O4/c1-23(2)36(4)27-12-8-11-26(17-27)20-37-21-30-38(29(32(37)42)18-24-13-15-28(40)16-14-24)31(41)22-35(3)39(30)33(43)34-19-25-9-6-5-7-10-25/h5-17,23,29-30,40H,18-22H2,1-4H3,(H,34,43)/t29-,30+/m0/s1