ethyl 5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(o-tolyl)-2-[[3-(3-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]pyrazole-3-carboxylate CAS Name: 5-(2-methylphenyl)-2-[[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylate Traditional Name: 5-(o-tolyl)-2-[[3-(3-pyridyl)-2-isoxazolin-5-yl]methyl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C22H22N4O3/c1-3-28-22(27)21-12-20(18-9-5-4-7-15(18)2)24-26(21)14-17-11-19(25-29-17)16-8-6-10-23-13-16/h4-10,12-13,17H,3,11,14H2,1-2H3