ethyl 4-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H37N3O5 MolecularWeight: 519.63188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H37N3O5/c1-3-38-30(36)32-19-17-31(18-20-32)29(35)26-24-11-7-8-12-25(24)28(34)33(22-9-5-4-6-10-22)27(26)21-13-15-23(37-2)16-14-21/h7-8,11-16,22,26-27H,3-6,9-10,17-20H2,1-2H3