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

Systemtic Name: 9-methyl-2-(2-methylpropyl)-4-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyrido[3,4-b]indol-1-one Openeye Name: 2-isobutyl-9-methyl-4-[4-(1-piperidyl)piperidine-1-carbonyl]pyrido[3,4-b]indol-1-one CAS Name: 9-methyl-2-(2-methylpropyl)-4-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-1-pyrido[3,4-b]indolone IUPAC Name: 9-methyl-2-(2-methylpropyl)-4-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrido[3,4-b]indol-1-one Traditional Name: 2-isobutyl-9-methyl-4-(4-piperidinopiperidine-1-carbonyl)-$b-carbolin-1-one Formula: C27H36N4O2 MolecularWeight: 448.60034

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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)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C27H36N4O2/c1-19(2)17-31-18-22(24-21-9-5-6-10-23(21)28(3)25(24)27(31)33)26(32)30-15-11-20(12-16-30)29-13-7-4-8-14-29/h5-6,9-10,18-20H,4,7-8,11-17H2,1-3H3