4-[3-[(E)-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methyl]indol-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-[(E)-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methyl]indol-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-[(E)-(1-benzyl-4-oxo-3-piperidylidene)methyl]indole-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[3-[(E)-[4-oxo-1-(phenylmethyl)-3-piperidinylidene]methyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 4-[3-[(E)-(1-benzyl-4-oxopiperidin-3-ylidene)methyl]indole-1-carbonyl]benzonitrile Traditional Name: 4-[3-[(E)-(1-benzyl-4-keto-3-piperidylidene)methyl]indole-1-carbonyl]benzonitrile Formula: C29H23N3O2 MolecularWeight: 445.51182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=CC2=CN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N)C1=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C/C(=C\C2=CN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N)/C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O2/c30-17-21-10-12-23(13-11-21)29(34)32-20-24(26-8-4-5-9-27(26)32)16-25-19-31(15-14-28(25)33)18-22-6-2-1-3-7-22/h1-13,16,20H,14-15,18-19H2/b25-16+