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

Systemtic Name: 3-(1-adamantylcarbonyl)-N-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-2-pyrazoline-3-carboxamide Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-29-16-3-4-20(30-2)17(8-16)24-22(28)19-9-18(25-26-19)21(27)23-10-13-5-14(11-23)7-15(6-13)12-23/h3-4,8,13-15,19,26H,5-7,9-12H2,1-2H3,(H,24,28)