1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenyl-butan-1-one

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-phenyl-butan-1-one CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-phenyl-1-butanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-phenyl-butan-1-one Formula: C21H23ClF3N3O MolecularWeight: 425.87503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClF3N3O/c1-15(16-6-3-2-4-7-16)12-19(29)27-8-5-9-28(11-10-27)20-18(22)13-17(14-26-20)21(23,24)25/h2-4,6-7,13-15H,5,8-12H2,1H3