(5R,7S)-N-phenyl-N-(phenylmethyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: (5R,7S)-N-phenyl-N-(phenylmethyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5R,7S)-N-benzyl-N-phenyl-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5R,7S)-N-phenyl-N-(phenylmethyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5R,7S)-N-benzyl-N-phenyl-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5R,7S)-N-benzyl-N-phenyl-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)N(CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)C(=O)N(CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H28N4O/c31-24(29(23-9-5-2-6-10-23)16-20-7-3-1-4-8-20)25-12-21-11-22(13-25)15-26(14-21,17-25)30-19-27-18-28-30/h1-10,18-19,21-22H,11-17H2/t21-,22+,25?,26?