2-[4-[3-(azepan-1-yl)prop-1-ynyl]-2-chloranyl-phenyl]adamantan-2-ol

Systemtic Name: 2-[4-[3-(azepan-1-yl)prop-1-ynyl]-2-chloranyl-phenyl]adamantan-2-ol Openeye Name: 2-[4-[3-(azepan-1-yl)prop-1-ynyl]-2-chloro-phenyl]adamantan-2-ol CAS Name: 2-[4-[3-(1-azepanyl)prop-1-ynyl]-2-chlorophenyl]-2-adamantanol IUPAC Name: 2-[4-[3-(azepan-1-yl)prop-1-ynyl]-2-chlorophenyl]adamantan-2-ol Traditional Name: 2-[4-[3-(azepan-1-yl)prop-1-ynyl]-2-chloro-phenyl]adamantan-2-ol Formula: C25H32ClNO MolecularWeight: 397.98068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)C3(C4CC5CC(C4)CC3C5)O)Cl

Isomeric SMILES

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)C3(C4CC5CC(C4)CC3C5)O)Cl

InChI

InChI=1S/C25H32ClNO/c26-24-17-18(6-5-11-27-9-3-1-2-4-10-27)7-8-23(24)25(28)21-13-19-12-20(15-21)16-22(25)14-19/h7-8,17,19-22,28H,1-4,9-16H2