2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-N-[2-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)ethyl]ethanamide Openeye Name: N-[2-(4-benzyloxyphenyl)ethyl]-2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]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-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)ethyl]acetamide Traditional Name: N-[2-(4-benzoxyphenyl)ethyl]-2-(4-cyanophenyl)-2-[3-(cyclohexylmethyl)-1,4-diketo-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinolin-2-yl]acetamide Formula: C43H44N4O4 MolecularWeight: 680.83386

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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=C(C=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)CC2C(=O)N3CC4=CC=CC=C4CC3C(=O)N2C(C5=CC=C(C=C5)C#N)C(=O)NCCC6=CC=C(C=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C43H44N4O4/c44-27-32-15-19-34(20-16-32)40(41(48)45-24-23-30-17-21-37(22-18-30)51-29-33-11-5-2-6-12-33)47-39(25-31-9-3-1-4-10-31)42(49)46-28-36-14-8-7-13-35(36)26-38(46)43(47)50/h2,5-8,11-22,31,38-40H,1,3-4,9-10,23-26,28-29H2,(H,45,48)