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

Systemtic Name: (5S,7R)-N-(4-methylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(p-tolyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(4-methylphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(4-methylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(p-tolyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C20H24N4O/c1-14-2-4-17(5-3-14)23-18(25)19-7-15-6-16(8-19)10-20(9-15,11-19)24-13-21-12-22-24/h2-5,12-13,15-16H,6-11H2,1H3,(H,23,25)/t15-,16+,19?,20?