ethyl 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)C

InChI

InChI=1S/C24H24N4O3/c1-4-31-24(30)22-16(2)21(17(3)26-22)20(29)12-11-19-15-28(14-8-13-25)27-23(19)18-9-6-5-7-10-18/h5-7,9-12,15,26H,4,8,14H2,1-3H3/b12-11+