3-(1-adamantylcarbonyl)-N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1-adamantylcarbonyl)-N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-(1,3-benzodioxol-5-yl)-2-pyrazoline-3-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=NNC(C4)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=NNC(C4)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H25N3O4/c26-20(22-8-12-3-13(9-22)5-14(4-12)10-22)16-7-17(25-24-16)21(27)23-15-1-2-18-19(6-15)29-11-28-18/h1-2,6,12-14,17,25H,3-5,7-11H2,(H,23,27)