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

Systemtic Name: (5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C20H24N4O2/c1-26-17-5-3-2-4-16(17)23-18(25)19-7-14-6-15(8-19)10-20(9-14,11-19)24-13-21-12-22-24/h2-5,12-15H,6-11H2,1H3,(H,23,25)/t14-,15+,19?,20?