ethyl 5-methyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(2-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(2-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C

InChI

InChI=1S/C20H20N4O3/c1-3-27-20(26)18-13-23-24(14(18)2)17-9-7-15(8-10-17)19(25)22-12-16-6-4-5-11-21-16/h4-11,13H,3,12H2,1-2H3,(H,22,25)