[2-(dimethylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CCC#N)C#N

Isomeric SMILES

CN(C)C(=O)COC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CCC#N)/C#N

InChI

InChI=1S/C20H19N5O3/c1-24(2)18(26)14-28-20(27)16(12-22)11-17-13-25(10-6-9-21)23-19(17)15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,10,14H2,1-2H3/b16-11+