ethyl 1-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H23N3O5/c1-3-29-23(28)19-13-24-26(15(19)2)18-6-4-5-17(12-18)25-22(27)10-8-16-7-9-20-21(11-16)31-14-30-20/h4-7,9,11-13H,3,8,10,14H2,1-2H3,(H,25,27)