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

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C18H17ClF3N3O MolecularWeight: 383.79529

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H17ClF3N3O/c19-15-11-14(18(20,21)22)12-23-16(15)24-7-4-8-25(10-9-24)17(26)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2