(2S)-2-(4-fluorophenyl)-2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-(4-m-toluoylpiperazino)acetonitrile Formula: C20H20FN3O MolecularWeight: 337.390703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O/c1-15-3-2-4-17(13-15)20(25)24-11-9-23(10-12-24)19(14-22)16-5-7-18(21)8-6-16/h2-8,13,19H,9-12H2,1H3/t19-/m1/s1