N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-homopiperonyl-3-methyl-pyrazole-4-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O3/c1-14-19(20(22)25(24-14)12-16-5-3-2-4-6-16)21(26)23-10-9-15-7-8-17-18(11-15)28-13-27-17/h2-8,11H,9-10,12-13H2,1H3,(H,23,26)