N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-chloro-benzamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-chloro-benzamide Formula: C25H25ClN4O MolecularWeight: 432.9452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C25H25ClN4O/c26-20-3-1-2-19(11-20)24(31)28-21-4-6-22(7-5-21)30-23(15-27-29-30)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,15-18H,8-10,12-14H2,(H,28,31)