1-(4-nitrophenyl)-2-oxidanylidene-5-(4-piperidin-1-ylbutyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Systemtic Name: 1-(4-nitrophenyl)-2-oxidanylidene-5-(4-piperidin-1-ylbutyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile Openeye Name: 1-(4-nitrophenyl)-2-oxo-5-[4-(1-piperidyl)butyl]-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile CAS Name: 1-(4-nitrophenyl)-2-oxo-5-[4-(1-piperidinyl)butyl]-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile IUPAC Name: 1-(4-nitrophenyl)-2-oxo-5-(4-piperidin-1-ylbutyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile Traditional Name: 2-keto-1-(4-nitrophenyl)-5-(4-piperidinobutyl)-4a,9b-dihydropyrid[3,2-b]indole-3-carbonitrile Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)CCCCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C27H29N5O3/c28-19-20-18-25-26(31(27(20)33)21-10-12-22(13-11-21)32(34)35)23-8-2-3-9-24(23)30(25)17-7-6-16-29-14-4-1-5-15-29/h2-3,8-13,18,25-26H,1,4-7,14-17H2