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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-morpholino-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-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-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-keto-2-morpholino-ethyl) ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C22H21N5O4/c23-7-4-8-27-15-19(21(25-27)17-5-2-1-3-6-17)13-18(14-24)22(29)31-16-20(28)26-9-11-30-12-10-26/h1-3,5-6,13,15H,4,8-12,16H2/b18-13+