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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

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