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

Systemtic Name: 9-methyl-2-(2-methylpropyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-(4-benzylpiperidine-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-piperidinyl]methyl]-1-pyrido[3,4-b]indolone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-isobutyl-9-methyl-$b-carbolin-1-one Formula: C29H33N3O2 MolecularWeight: 455.59122

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O2/c1-20(2)18-32-19-24(26-23-11-7-8-12-25(23)30(3)27(26)29(32)34)28(33)31-15-13-22(14-16-31)17-21-9-5-4-6-10-21/h4-12,19-20,22H,13-18H2,1-3H3