2-cyclohexyl-4-(4-ethylpiperazin-1-yl)carbonyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclohexyl-4-(4-ethylpiperazin-1-yl)carbonyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H37N3O3/c1-3-30-17-19-31(20-18-30)29(34)26-24-11-7-8-12-25(24)28(33)32(22-9-5-4-6-10-22)27(26)21-13-15-23(35-2)16-14-21/h7-8,11-16,22,26-27H,3-6,9-10,17-20H2,1-2H3