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

Systemtic Name: 9-methyl-2-(2-methylpropyl)-4-(4-phenylpiperazin-1-yl)carbonyl-pyrido[3,4-b]indol-1-one Openeye Name: 2-isobutyl-9-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrido[3,4-b]indol-1-one CAS Name: 9-methyl-2-(2-methylpropyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-pyrido[3,4-b]indolone IUPAC Name: 9-methyl-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)pyrido[3,4-b]indol-1-one Traditional Name: 2-isobutyl-9-methyl-4-(4-phenylpiperazine-1-carbonyl)-$b-carbolin-1-one Formula: C27H30N4O2 MolecularWeight: 442.5527

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2/c1-19(2)17-31-18-22(24-21-11-7-8-12-23(21)28(3)25(24)27(31)33)26(32)30-15-13-29(14-16-30)20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3