ethyl 5-methyl-1-[4-[(phenylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(phenylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(benzylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[(phenylmethyl)amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(benzylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-3-27-21(26)19-14-23-24(15(19)2)18-11-9-17(10-12-18)20(25)22-13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,22,25)