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

Systemtic Name: 2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(3-hydroxyphenyl)ethyl]ethanamide Openeye Name: 2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide CAS Name: 2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide IUPAC Name: 2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide Traditional Name: 2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-diketo-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinolin-2-yl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2C(=O)N3CC4=CC=CC=C4CC3C(=O)N2C(C5=CC=C(C=C5)C#N)C(=O)NCCC6=CC(=CC=C6)O

Isomeric SMILES

C1CCC(CC1)CC2C(=O)N3CC4=CC=CC=C4CC3C(=O)N2C(C5=CC=C(C=C5)C#N)C(=O)NCCC6=CC(=CC=C6)O

InChI

InChI=1S/C36H38N4O4/c37-22-26-13-15-27(16-14-26)33(34(42)38-18-17-25-9-6-12-30(41)19-25)40-32(20-24-7-2-1-3-8-24)35(43)39-23-29-11-5-4-10-28(29)21-31(39)36(40)44/h4-6,9-16,19,24,31-33,41H,1-3,7-8,17-18,20-21,23H2,(H,38,42)