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

Systemtic Name: 2H-benzotriazol-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C18H17F3N6O MolecularWeight: 390.36239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N6O/c19-18(20,21)13-3-5-16(22-11-13)26-6-1-7-27(9-8-26)17(28)12-2-4-14-15(10-12)24-25-23-14/h2-5,10-11H,1,6-9H2,(H,23,24,25)