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

Systemtic Name: (5S,7R)-N-(3-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(3-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(3-bromophenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(3-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(3-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C19H21BrN4O MolecularWeight: 401.30024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)C(=O)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C19H21BrN4O/c20-15-2-1-3-16(5-15)23-17(25)18-6-13-4-14(7-18)9-19(8-13,10-18)24-12-21-11-22-24/h1-3,5,11-14H,4,6-10H2,(H,23,25)/t13-,14+,18?,19?