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

Systemtic Name: 4-phenyl-1-[3,3,3-tris(4-methylphenyl)propanoyl]piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-[3,3,3-tris(p-tolyl)propanoyl]piperidine-4-carbonitrile CAS Name: 4-phenyl-1-[3,3,3-tris(4-methylphenyl)-1-oxopropyl]-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-[3,3,3-tris(4-methylphenyl)propanoyl]piperidine-4-carbonitrile Traditional Name: 4-phenyl-1-[3,3,3-tris(p-tolyl)propanoyl]isonipecotonitrile Formula: C36H36N2O MolecularWeight: 512.68384

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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=C(C=C4)C)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=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C36H36N2O/c1-27-9-15-31(16-10-27)36(32-17-11-28(2)12-18-32,33-19-13-29(3)14-20-33)25-34(39)38-23-21-35(26-37,22-24-38)30-7-5-4-6-8-30/h4-20H,21-25H2,1-3H3