3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile

Systemtic Name: 3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: 3-oxo-2-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: 4-(4-benzylpiperazino)-3-keto-2-phenyl-butyronitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c22-15-20(19-9-5-2-6-10-19)21(25)17-24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10,20H,11-14,16-17H2