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

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-ethoxycarbonylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-carbethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C22H22N4O5/c1-3-30-21(28)15-5-9-16(10-6-15)25-20(27)14-7-11-17(12-8-14)26-19(23)18(13-24-26)22(29)31-4-2/h5-13H,3-4,23H2,1-2H3,(H,25,27)