[2-oxidanylidene-2-(propylamino)ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-3-12-23-20(26)15-28-22(27)19-14-25(18-10-5-4-6-11-18)24-21(19)17-9-7-8-16(2)13-17/h4-11,13-14H,3,12,15H2,1-2H3,(H,23,26)