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

Systemtic Name: ethyl 5-azanyl-1-[4-[(phenylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(benzylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[(phenylmethyl)amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(benzylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(benzylcarbamoyl)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=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-2-27-20(26)17-13-23-24(18(17)21)16-10-8-15(9-11-16)19(25)22-12-14-6-4-3-5-7-14/h3-11,13H,2,12,21H2,1H3,(H,22,25)