(E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(4-methyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methyl-3-nitro-phenyl)acrylonitrile Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN4O3/c1-15-6-7-16(13-20(15)26(28)29)12-17(14-23)21(27)25-10-8-24(9-11-25)19-5-3-2-4-18(19)22/h2-7,12-13H,8-11H2,1H3/b17-12+