methyl 5-azanyl-1-[4-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(2,5-dimethoxyphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2,5-dimethoxybenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C21H22N4O5/c1-28-16-8-9-18(29-2)14(10-16)11-23-20(26)13-4-6-15(7-5-13)25-19(22)17(12-24-25)21(27)30-3/h4-10,12H,11,22H2,1-3H3,(H,23,26)