3-(1-adamantylcarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1-adamantylcarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrazoline-3-carboxamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC(=NN3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC(=NN3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H27N3O4/c27-21(23-10-13-5-14(11-23)7-15(6-13)12-23)17-9-18(26-25-17)22(28)24-16-1-2-19-20(8-16)30-4-3-29-19/h1-2,8,13-15,18,26H,3-7,9-12H2,(H,24,28)