ethyl 4-[(2-propoxyphenyl)carbonylamino]-3-pyridin-3-yl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[(2-propoxyphenyl)carbonylamino]-3-pyridin-3-yl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[(2-propoxybenzoyl)amino]-3-(3-pyridyl)-1H-pyrazole-5-carboxylate CAS Name: 4-[[oxo-(2-propoxyphenyl)methyl]amino]-3-(3-pyridinyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-propoxybenzoyl)amino]-3-pyridin-3-yl-1H-pyrazole-5-carboxylate Traditional Name: 4-[(2-propoxybenzoyl)amino]-3-(3-pyridyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC2=C(NN=C2C3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC2=C(NN=C2C3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N4O4/c1-3-12-29-16-10-6-5-9-15(16)20(26)23-18-17(14-8-7-11-22-13-14)24-25-19(18)21(27)28-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,26)(H,24,25)