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

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C21H22N4O3/c1-4-28-21(27)19-14(2)24-25(15(19)3)18-9-7-17(8-10-18)20(26)23-13-16-6-5-11-22-12-16/h5-12H,4,13H2,1-3H3,(H,23,26)