ethyl 3,5-dimethyl-1-[4-(2-pyridin-3-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(2-pyridin-3-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[2-(3-pyridyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-[2-(3-pyridinyl)ethylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(2-pyridin-3-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-[2-(3-pyridyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC3=CN=CC=C3)C

InChI

InChI=1S/C22H24N4O3/c1-4-29-22(28)20-15(2)25-26(16(20)3)19-9-7-18(8-10-19)21(27)24-13-11-17-6-5-12-23-14-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,27)