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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

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