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

Systemtic Name: 9-methyl-2-(2-methylpropyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-isobutyl-9-methyl-pyrido[3,4-b]indol-1-one CAS Name: 9-methyl-2-(2-methylpropyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrido[3,4-b]indolone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-isobutyl-9-methyl-$b-carbolin-1-one Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2/c1-20(2)17-32-19-23(25-22-11-7-8-12-24(22)29(3)26(25)28(32)34)27(33)31-15-13-30(14-16-31)18-21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3