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

Systemtic Name: ethyl 5-[(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C30H24N4O4 MolecularWeight: 504.53596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)/C#N)C

InChI

InChI=1S/C30H24N4O4/c1-4-37-30(36)26-18(2)27(32-19(26)3)29(35)21(16-31)14-22-17-34(23-11-6-5-7-12-23)33-28(22)25-15-20-10-8-9-13-24(20)38-25/h5-15,17,32H,4H2,1-3H3/b21-14+