ethyl 5-azanyl-1-[4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylate CAS Name: 1-[4-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]phenyl]-5-amino-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-aminopyrazole-4-carboxylate Traditional Name: 1-[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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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=CC4=C(C=C3C(=O)C)OCO4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)N

InChI

InChI=1S/C22H20N4O6/c1-3-30-22(29)16-10-24-26(20(16)23)14-6-4-13(5-7-14)21(28)25-17-9-19-18(31-11-32-19)8-15(17)12(2)27/h4-10H,3,11,23H2,1-2H3,(H,25,28)