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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC(C)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC(C)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-4-5-8-22-17(19)16(12(3)21-22)18(23)20-11(2)13-6-7-14-15(9-13)25-10-24-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,23)