2-[4-(2,5-dimethylphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-(2,5-dimethylphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[(2,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-(2,5-dimethylbenzoyl)piperazino]-2-phenyl-acetonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-16-8-9-17(2)19(14-16)21(25)24-12-10-23(11-13-24)20(15-22)18-6-4-3-5-7-18/h3-9,14,20H,10-13H2,1-2H3