[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3/c1-3-16-9-11-17(12-10-16)21(26)27-14-20(25)22-19-13-15(2)23-24(19)18-7-5-4-6-8-18/h4-13H,3,14H2,1-2H3,(H,22,25)