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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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