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

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-methylfuran-3-yl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(2-methyl-3-furanyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(2-methyl-3-furoyl)piperazino]acetonitrile Formula: C18H18FN3O2 MolecularWeight: 327.352823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2/c1-13-16(6-11-24-13)18(23)22-9-7-21(8-10-22)17(12-20)14-2-4-15(19)5-3-14/h2-6,11,17H,7-10H2,1H3/t17-/m1/s1