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

Systemtic Name: ethyl 5-azanyl-1-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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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=C(C=C(C=C3C)C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-5-29-22(28)18-12-24-26(20(18)23)17-8-6-16(7-9-17)21(27)25-19-14(3)10-13(2)11-15(19)4/h6-12H,5,23H2,1-4H3,(H,25,27)