ethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[[(E)-3-(p-tolyl)acryloyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-3-28-22(27)19-15-23-25(18-7-5-4-6-8-18)21(19)24-20(26)14-13-17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3,(H,24,26)/b14-13+