4-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,3-diphenylpropanoyl)piperazino]methyl]benzonitrile Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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