5-methyl-1-(4-nitrophenyl)-4-(2-oxidanylidenepropyl)-2-piperidin-1-yl-4H-pyrido[3,2-b]indole-3-carbonitrile

Systemtic Name: 5-methyl-1-(4-nitrophenyl)-4-(2-oxidanylidenepropyl)-2-piperidin-1-yl-4H-pyrido[3,2-b]indole-3-carbonitrile Openeye Name: 4-acetonyl-5-methyl-1-(4-nitrophenyl)-2-(1-piperidyl)-4H-pyrido[3,2-b]indole-3-carbonitrile CAS Name: 5-methyl-1-(4-nitrophenyl)-4-(2-oxopropyl)-2-(1-piperidinyl)-4H-pyrido[3,2-b]indole-3-carbonitrile IUPAC Name: 5-methyl-1-(4-nitrophenyl)-4-(2-oxopropyl)-2-piperidin-1-yl-4H-pyrido[3,2-b]indole-3-carbonitrile Traditional Name: 4-acetonyl-5-methyl-1-(4-nitrophenyl)-2-piperidino-4H-pyrid[3,2-b]indole-3-carbonitrile Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(=C(N(C2=C1N(C3=CC=CC=C32)C)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5)C#N

Isomeric SMILES

CC(=O)CC1C(=C(N(C2=C1N(C3=CC=CC=C32)C)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5)C#N

InChI

InChI=1S/C27H27N5O3/c1-18(33)16-22-23(17-28)27(30-14-6-3-7-15-30)31(19-10-12-20(13-11-19)32(34)35)26-21-8-4-5-9-24(21)29(2)25(22)26/h4-5,8-13,22H,3,6-7,14-16H2,1-2H3