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

Systemtic Name: ethyl 5-azanyl-1-[4-[(2-ethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(2-ethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-ethoxyanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-ethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(o-phenetylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C21H22N4O4/c1-3-28-18-8-6-5-7-17(18)24-20(26)14-9-11-15(12-10-14)25-19(22)16(13-23-25)21(27)29-4-2/h5-13H,3-4,22H2,1-2H3,(H,24,26)