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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cycloheptanecarboxamide Traditional Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-piperonyl-cycloheptanecarboxamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N3O3/c30-26(21-10-4-1-2-5-11-21)29(16-19-12-13-23-24(14-19)32-18-31-23)17-22-15-27-28-25(22)20-8-6-3-7-9-20/h3,6-9,12-15,21H,1-2,4-5,10-11,16-18H2,(H,27,28)