1-[(3S)-1-(1-adamantylcarbonyl)piperidin-3-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-(1-adamantylcarbonyl)piperidin-3-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(adamantane-1-carbonyl)-3-piperidyl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[1-adamantyl(oxo)methyl]-3-piperidinyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(adamantane-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[(3S)-1-(adamantane-1-carbonyl)-3-piperidyl]-N-isobutyl-triazole-4-carboxamide Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCCN(C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)[C@H]2CCCN(C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H35N5O2/c1-15(2)12-24-21(29)20-14-28(26-25-20)19-4-3-5-27(13-19)22(30)23-9-16-6-17(10-23)8-18(7-16)11-23/h14-19H,3-13H2,1-2H3,(H,24,29)/t16?,17?,18?,19-,23?/m0/s1