(2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-2-nitro-benzoyl)piperazino]acetonitrile Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O3/c1-14-3-2-4-17(19(14)25(27)28)20(26)24-11-9-23(10-12-24)18(13-22)15-5-7-16(21)8-6-15/h2-8,18H,9-12H2,1H3/t18-/m1/s1