methyl 5-azanyl-1-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(p-tolylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(4-methylphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-methylbenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

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