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

Systemtic Name: (E)-3-(4-ethyl-3-nitro-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-ethyl-3-nitro-phenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-ethyl-3-nitrophenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-ethyl-3-nitrophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-ethyl-3-nitro-phenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN4O3/c1-2-17-8-7-16(14-21(17)27(29)30)13-18(15-24)22(28)26-11-9-25(10-12-26)20-6-4-3-5-19(20)23/h3-8,13-14H,2,9-12H2,1H3/b18-13+