ethyl 4-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C28H22N4O3/c1-2-35-28(34)21-13-15-24(16-14-21)30-27(33)22(18-29)17-23-19-32(25-11-7-4-8-12-25)31-26(23)20-9-5-3-6-10-20/h3-17,19H,2H2,1H3,(H,30,33)/b22-17+