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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(isopropylamino)-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-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (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-(isopropylamino)-2-keto-ethyl] ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-15(2)24-19(27)14-29-21(28)17(12-23)11-18-13-26(10-6-9-22)25-20(18)16-7-4-3-5-8-16/h3-5,7-8,11,13,15H,6,10,14H2,1-2H3,(H,24,27)/b17-11+