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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-3-12-23-20(26)15-29-22(27)19-14-25(17-9-5-4-6-10-17)24-21(19)16-8-7-11-18(13-16)28-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,23,26)