3-(1-adamantylcarbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1-adamantylcarbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-homoveratryl-2-pyrazoline-3-carboxamide Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC(=NN2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC(=NN2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H33N3O4/c1-31-21-4-3-15(10-22(21)32-2)5-6-26-24(30)20-11-19(27-28-20)23(29)25-12-16-7-17(13-25)9-18(8-16)14-25/h3-4,10,16-18,20,28H,5-9,11-14H2,1-2H3,(H,26,30)