N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenyl-3-pyrazolyl)methyl]cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cyclohexanecarboxamide Traditional Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-piperonyl-cyclohexanecarboxamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3/c29-25(20-7-3-1-4-8-20)27(16-19-11-12-23-24(15-19)31-18-30-23)17-22-13-14-26-28(22)21-9-5-2-6-10-21/h2,5-6,9-15,20H,1,3-4,7-8,16-18H2