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

Systemtic Name: ethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(p-tolyl)acryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C=CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)/C=C/C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N4O3/c1-3-32-25(31)20-16-26-29(22-14-13-19-6-4-5-7-21(19)27-22)24(20)28-23(30)15-12-18-10-8-17(2)9-11-18/h4-16H,3H2,1-2H3,(H,28,30)/b15-12+