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

Systemtic Name: 2H-chromen-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2H-chromen-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2H-chromen-3-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C21H20F3N3O2 MolecularWeight: 403.39761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c22-21(23,24)17-6-7-19(25-13-17)26-8-3-9-27(11-10-26)20(28)16-12-15-4-1-2-5-18(15)29-14-16/h1-2,4-7,12-13H,3,8-11,14H2