1-(4,7-dimethylquinazolin-2-yl)-N-(5-oxidanyl-2-adamantyl)piperidine-3-carboxamide

Systemtic Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(5-oxidanyl-2-adamantyl)piperidine-3-carboxamide Openeye Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(5-hydroxy-2-adamantyl)piperidine-3-carboxamide CAS Name: 1-(4,7-dimethyl-2-quinazolinyl)-N-(5-hydroxy-2-adamantyl)-3-piperidinecarboxamide IUPAC Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(5-hydroxy-2-adamantyl)piperidine-3-carboxamide Traditional Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(5-hydroxy-2-adamantyl)nipecotamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)NC4C5CC6CC4CC(C6)(C5)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)NC4C5CC6CC4CC(C6)(C5)O)C

InChI

InChI=1S/C26H34N4O2/c1-15-5-6-21-16(2)27-25(28-22(21)8-15)30-7-3-4-18(14-30)24(31)29-23-19-9-17-10-20(23)13-26(32,11-17)12-19/h5-6,8,17-20,23,32H,3-4,7,9-14H2,1-2H3,(H,29,31)