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

Systemtic Name: 1-[3,3-bis(4-chlorophenyl)-3-phenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3,3-bis(4-chlorophenyl)-3-phenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3,3-bis(4-chlorophenyl)-1-oxo-3-phenylpropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3,3-bis(4-chlorophenyl)-3-phenylpropanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3,3-bis(4-chlorophenyl)-3-phenyl-propanoyl]-4-phenyl-isonipecotonitrile Formula: C33H28Cl2N2O MolecularWeight: 539.49422

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

InChI

InChI=1S/C33H28Cl2N2O/c34-29-15-11-27(12-16-29)33(26-9-5-2-6-10-26,28-13-17-30(35)18-14-28)23-31(38)37-21-19-32(24-36,20-22-37)25-7-3-1-4-8-25/h1-18H,19-23H2