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

Systemtic Name: 1-[3-(3-bromophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-(3-bromophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-(3-bromophenyl)-1-oxo-3,3-diphenylpropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-(3-bromophenyl)-3,3-diphenylpropanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-(3-bromophenyl)-3,3-diphenyl-propanoyl]-4-phenyl-isonipecotonitrile Formula: C33H29BrN2O MolecularWeight: 549.50016

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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(=CC=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C33H29BrN2O/c34-30-18-10-17-29(23-30)33(27-13-6-2-7-14-27,28-15-8-3-9-16-28)24-31(37)36-21-19-32(25-35,20-22-36)26-11-4-1-5-12-26/h1-18,23H,19-22,24H2