[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-16-9-11-18(12-10-16)19-14-20(25-24-19)22(27)28-15-21(26)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,26)(H,24,25)