ethyl 4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C=C(C#N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O3/c1-2-25-17(24)22-9-7-21(8-10-22)12-13(11-19)16(23)20-15-5-3-14(18)4-6-15/h3-6,12H,2,7-10H2,1H3,(H,20,23)/b13-12+