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

Systemtic Name: 3-(1-adamantylcarbonyl)-N-(phenylmethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-(adamantane-1-carbonyl)-N-benzyl-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: 3-[1-adamantyl(oxo)methyl]-N-(phenylmethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: 3-(adamantane-1-carbonyl)-N-benzyl-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(adamantane-1-carbonyl)-N-benzyl-2-pyrazoline-3-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=NNC(C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=NNC(C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C22H27N3O2/c26-20(22-10-15-6-16(11-22)8-17(7-15)12-22)18-9-19(25-24-18)21(27)23-13-14-4-2-1-3-5-14/h1-5,15-17,19,25H,6-13H2,(H,23,27)