[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-cyclopropyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H21N3O3/c1-15-7-9-17(10-8-15)22(27)28-14-21(26)23-20-13-19(16-11-12-16)24-25(20)18-5-3-2-4-6-18/h2-10,13,16H,11-12,14H2,1H3,(H,23,26)