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

Systemtic Name: 2H-benzotriazol-5-yl-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C18H16ClF3N6O MolecularWeight: 424.80745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3N6O/c19-13-9-12(18(20,21)22)10-23-16(13)27-4-1-5-28(7-6-27)17(29)11-2-3-14-15(8-11)25-26-24-14/h2-3,8-10H,1,4-7H2,(H,24,25,26)