[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H17N5O3/c1-11-16(12(2)21-20-11)19-15(23)10-25-17(24)13-4-6-14(7-5-13)22-9-3-8-18-22/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21)