(2S)-2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-phenylacetonitrile Traditional Name: (2S)-2-(4-o-toluoylpiperazino)-2-phenyl-acetonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O/c1-16-7-5-6-10-18(16)20(24)23-13-11-22(12-14-23)19(15-21)17-8-3-2-4-9-17/h2-10,19H,11-14H2,1H3/t19-/m1/s1