N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]cycloheptanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cycloheptanecarboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-piperonyl-cycloheptanecarboxamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCCC4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCCC4)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-24-12-17(22)18(23-24)13-25(21(26)16-6-4-2-3-5-7-16)11-15-8-9-19-20(10-15)28-14-27-19/h8-10,12,16H,2-7,11,13-14H2,1H3