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

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-(3,4-dichlorophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-(3,4-dichlorophenyl)-1-oxo-3,3-diphenylpropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-(3,4-dichlorophenyl)-3,3-diphenylpropanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-(3,4-dichlorophenyl)-3,3-diphenyl-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=CC=C4)C5=CC(=C(C=C5)Cl)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)Cl

InChI

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