4-(4-cyclohexylpiperazin-1-yl)carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisocarbostyril Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCCC4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCCC4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H34N4O2/c1-31-27(24-19-30-25-14-8-7-11-21(24)25)26(22-12-5-6-13-23(22)28(31)34)29(35)33-17-15-32(16-18-33)20-9-3-2-4-10-20/h5-8,11-14,19-20,26-27,30H,2-4,9-10,15-18H2,1H3