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

Systemtic Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H35N3O3/c1-29-16-18-30(19-17-29)28(33)25-23-10-6-7-11-24(23)27(32)31(21-8-4-3-5-9-21)26(25)20-12-14-22(34-2)15-13-20/h6-7,10-15,21,25-26H,3-5,8-9,16-19H2,1-2H3