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

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(2-quinolyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-quinolinyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(2-quinolyl)methanone Formula: C21H18ClF3N4O MolecularWeight: 434.84203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H18ClF3N4O/c22-16-12-15(21(23,24)25)13-26-19(16)28-8-3-9-29(11-10-28)20(30)18-7-6-14-4-1-2-5-17(14)27-18/h1-2,4-7,12-13H,3,8-11H2