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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-4-29-22(28)20-15(3)25-14(2)19(20)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+