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

Systemtic Name: ethyl 5-azanyl-1-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2,6-dimethylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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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=CC=C3C)C)N

Isomeric SMILES

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

InChI

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