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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-2-29-22(28)17-8-10-19(11-9-17)25-21(27)18(13-23)12-16-14-24-26(15-16)20-6-4-3-5-7-20/h3-12,14-15H,2H2,1H3,(H,25,27)/b18-12+