ethyl 5-azanyl-1-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(o-tolylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-methylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(o-tolylcarbamoyl)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)NC3=CC=CC=C3C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C)N

InChI

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