2-cyclopentyl-9-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrido[3,4-b]indol-1-one

Systemtic Name: 2-cyclopentyl-9-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopentyl-9-methyl-pyrido[3,4-b]indol-1-one CAS Name: 2-cyclopentyl-9-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrido[3,4-b]indolone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopentyl-9-methyl-$b-carbolin-1-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C6CCCC6

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C6CCCC6

InChI

InChI=1S/C29H32N4O2/c1-30-25-14-8-7-13-23(25)26-24(20-33(29(35)27(26)30)22-11-5-6-12-22)28(34)32-17-15-31(16-18-32)19-21-9-3-2-4-10-21/h2-4,7-10,13-14,20,22H,5-6,11-12,15-19H2,1H3