1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-naphthalen-1-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]-1,4-diazepane Formula: C23H22ClF3N2 MolecularWeight: 418.88239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22ClF3N2/c24-21-10-9-17(15-20(21)23(25,26)27)22(29-13-4-11-28-12-14-29)19-8-3-6-16-5-1-2-7-18(16)19/h1-3,5-10,15,22,28H,4,11-14H2