1-[3,3-bis(4-methylphenyl)-3-phenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3,3-bis(4-methylphenyl)-3-phenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-[3-phenyl-3,3-bis(p-tolyl)propanoyl]piperidine-4-carbonitrile CAS Name: 1-[3,3-bis(4-methylphenyl)-1-oxo-3-phenylpropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3,3-bis(4-methylphenyl)-3-phenylpropanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 4-phenyl-1-[3-phenyl-3,3-bis(p-tolyl)propanoyl]isonipecotonitrile Formula: C35H34N2O MolecularWeight: 498.65726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C35H34N2O/c1-27-13-17-31(18-14-27)35(30-11-7-4-8-12-30,32-19-15-28(2)16-20-32)25-33(38)37-23-21-34(26-36,22-24-37)29-9-5-3-6-10-29/h3-20H,21-25H2,1-2H3