methyl 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 2-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FN3O3/c1-29-22(28)18-7-3-2-6-16(18)14-17(15-24)21(27)26-12-10-25(11-13-26)20-9-5-4-8-19(20)23/h2-9,14H,10-13H2,1H3/b17-14+