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

Systemtic Name: 3-(1-adamantylcarbonyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-(4-methoxyphenyl)-2-pyrazoline-3-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-28-17-4-2-16(3-5-17)23-21(27)19-9-18(24-25-19)20(26)22-10-13-6-14(11-22)8-15(7-13)12-22/h2-5,13-15,19,25H,6-12H2,1H3,(H,23,27)