N-[2-(4-hydroxyphenyl)ethyl]-2-[3-[(4-hydroxyphenyl)methyl]-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]ethanamide

Systemtic Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[3-[(4-hydroxyphenyl)methyl]-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]ethanamide Openeye Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]acetamide CAS Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]acetamide IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]acetamide Traditional Name: 2-[3-(4-hydroxybenzyl)-1,4-diketo-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinolin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=O)N(C(C(=O)N2CC3=CC=CC=C31)CC4=CC=C(C=C4)O)CC(=O)NCCC5=CC=C(C=C5)O

Isomeric SMILES

C1C2C(=O)N(C(C(=O)N2CC3=CC=CC=C31)CC4=CC=C(C=C4)O)CC(=O)NCCC5=CC=C(C=C5)O

InChI

InChI=1S/C29H29N3O5/c33-23-9-5-19(6-10-23)13-14-30-27(35)18-32-25(15-20-7-11-24(34)12-8-20)28(36)31-17-22-4-2-1-3-21(22)16-26(31)29(32)37/h1-12,25-26,33-34H,13-18H2,(H,30,35)