N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Formula: C31H30N4O MolecularWeight: 474.5961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=NN(C(=N5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=NN(C(=N5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C31H30N4O/c36-30(28-33-29(24-7-3-1-4-8-24)35(34-28)27-9-5-2-6-10-27)32-26-13-11-25(12-14-26)31-18-21-15-22(19-31)17-23(16-21)20-31/h1-14,21-23H,15-20H2,(H,32,36)