1-oxidanylidene-2-(2-oxidanylideneethyl)-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indole-8-carbonitrile

Systemtic Name: 1-oxidanylidene-2-(2-oxidanylideneethyl)-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indole-8-carbonitrile Openeye Name: 9-benzyl-1-oxo-2-(2-oxoethyl)-3-phenyl-pyrido[3,4-b]indole-8-carbonitrile CAS Name: 1-oxo-2-(2-oxoethyl)-3-phenyl-9-(phenylmethyl)-8-pyrido[3,4-b]indolecarbonitrile IUPAC Name: 9-benzyl-1-oxo-2-(2-oxoethyl)-3-phenylpyrido[3,4-b]indole-8-carbonitrile Traditional Name: 9-benzyl-1-keto-2-(2-ketoethyl)-3-phenyl-$b-carboline-8-carbonitrile Formula: C27H19N3O2 MolecularWeight: 417.45866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC=C3C4=C2C(=O)N(C(=C4)C5=CC=CC=C5)CC=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC=C3C4=C2C(=O)N(C(=C4)C5=CC=CC=C5)CC=O)C#N

InChI

InChI=1S/C27H19N3O2/c28-17-21-12-7-13-22-23-16-24(20-10-5-2-6-11-20)29(14-15-31)27(32)26(23)30(25(21)22)18-19-8-3-1-4-9-19/h1-13,15-16H,14,18H2