2,2-diphenyl-4-[4-(phenylcarbonyl)piperazin-1-yl]butanenitrile

Systemtic Name: 2,2-diphenyl-4-[4-(phenylcarbonyl)piperazin-1-yl]butanenitrile Openeye Name: 4-(4-benzoylpiperazin-1-yl)-2,2-diphenyl-butanenitrile CAS Name: 4-(4-benzoyl-1-piperazinyl)-2,2-diphenylbutanenitrile IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-2,2-diphenylbutanenitrile Traditional Name: 4-(4-benzoylpiperazino)-2,2-diphenyl-butyronitrile Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O/c28-22-27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)16-17-29-18-20-30(21-19-29)26(31)23-10-4-1-5-11-23/h1-15H,16-21H2