3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-phenylazanylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-phenylazanylphenyl)adamantane-1-carboxamide Openeye Name: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C25H26BrN5O MolecularWeight: 492.41084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC=CC(=C5)NC6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC=CC(=C5)NC6=CC=CC=C6

InChI

InChI=1S/C25H26BrN5O/c26-23-27-16-31(30-23)25-13-17-9-18(14-25)12-24(11-17,15-25)22(32)29-21-8-4-7-20(10-21)28-19-5-2-1-3-6-19/h1-8,10,16-18,28H,9,11-15H2,(H,29,32)