1-[3-(4-chlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3-(4-chlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-(4-chlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-(4-chlorophenyl)-1-oxo-3,3-diphenylpropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-(4-chlorophenyl)-3,3-diphenylpropanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-(4-chlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-isonipecotonitrile Formula: C33H29ClN2O MolecularWeight: 505.04916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H29ClN2O/c34-30-18-16-29(17-19-30)33(27-12-6-2-7-13-27,28-14-8-3-9-15-28)24-31(37)36-22-20-32(25-35,21-23-36)26-10-4-1-5-11-26/h1-19H,20-24H2