2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetonitrile CAS Name: 2-(3-chlorophenyl)-2-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazino]acetonitrile Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC(=CC=C2)Cl)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC(=CC=C2)Cl)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O/c28-24-13-7-12-23(18-24)26(20-29)30-14-16-31(17-15-30)27(32)19-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,25-26H,14-17,19H2