methyl 5-azanyl-1-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(2,4,6-trimethylanilino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(mesitylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-12-9-13(2)18(14(3)10-12)24-20(26)15-5-7-16(8-6-15)25-19(22)17(11-23-25)21(27)28-4/h5-11H,22H2,1-4H3,(H,24,26)