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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N)C

InChI

InChI=1S/C22H20N4O3/c1-4-29-22(28)19-14(2)20(25-15(19)3)21(27)17(11-23)10-16-12-24-26(13-16)18-8-6-5-7-9-18/h5-10,12-13,25H,4H2,1-3H3/b17-10+