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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3-(phenylmethyl)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-2-(4-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]ethanamide Openeye Name: 2-(3-benzyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl)-2-(4-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide CAS Name: 2-(4-cyanophenyl)-2-[1,4-dioxo-3-(phenylmethyl)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide IUPAC Name: 2-(3-benzyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl)-2-(4-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide Traditional Name: 2-(3-benzyl-1,4-diketo-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinolin-2-yl)-2-(4-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide Formula: C36H32N4O4 MolecularWeight: 584.66368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=O)N(C(C(=O)N2CC3=CC=CC=C31)CC4=CC=CC=C4)C(C5=CC=C(C=C5)C#N)C(=O)NCCC6=CC=C(C=C6)O

Isomeric SMILES

C1C2C(=O)N(C(C(=O)N2CC3=CC=CC=C31)CC4=CC=CC=C4)C(C5=CC=C(C=C5)C#N)C(=O)NCCC6=CC=C(C=C6)O

InChI

InChI=1S/C36H32N4O4/c37-22-26-10-14-27(15-11-26)33(34(42)38-19-18-24-12-16-30(41)17-13-24)40-32(20-25-6-2-1-3-7-25)35(43)39-23-29-9-5-4-8-28(29)21-31(39)36(40)44/h1-17,31-33,41H,18-21,23H2,(H,38,42)