[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(diallylamino)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(diallylamino)-2-keto-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC=C)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC=C)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3/c1-4-15-27(16-5-2)23(29)18-31-25(30)22-17-28(21-9-7-6-8-10-21)26-24(22)20-13-11-19(3)12-14-20/h4-14,17H,1-2,15-16,18H2,3H3