methyl 5-azanyl-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(3,4,5-trimethoxyanilino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C21H22N4O6/c1-28-16-9-13(10-17(29-2)18(16)30-3)24-20(26)12-5-7-14(8-6-12)25-19(22)15(11-23-25)21(27)31-4/h5-11H,22H2,1-4H3,(H,24,26)