methyl 5-azanyl-1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(piperonylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H18N4O5/c1-27-20(26)15-10-23-24(18(15)21)14-5-3-13(4-6-14)19(25)22-9-12-2-7-16-17(8-12)29-11-28-16/h2-8,10H,9,11,21H2,1H3,(H,22,25)