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

Systemtic Name: (5S,7R)-N-(4-propan-2-ylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(4-isopropylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(4-propan-2-ylphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(4-propan-2-ylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-p-cumenyl-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C22H28N4O/c1-15(2)18-3-5-19(6-4-18)25-20(27)21-8-16-7-17(9-21)11-22(10-16,12-21)26-14-23-13-24-26/h3-6,13-17H,7-12H2,1-2H3,(H,25,27)/t16-,17+,21?,22?