ethyl 5-azanyl-1-[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(3,4-dimethoxyanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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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=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C21H22N4O5/c1-4-30-21(27)16-12-23-25(19(16)22)15-8-5-13(6-9-15)20(26)24-14-7-10-17(28-2)18(11-14)29-3/h5-12H,4,22H2,1-3H3,(H,24,26)