[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(2-naphthyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-naphthalenyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(2-naphthyl)methanone Formula: C22H19ClF3N3O MolecularWeight: 433.85397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C22H19ClF3N3O/c23-19-13-18(22(24,25)26)14-27-20(19)28-8-3-9-29(11-10-28)21(30)17-7-6-15-4-1-2-5-16(15)12-17/h1-2,4-7,12-14H,3,8-11H2