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

Systemtic Name: quinolin-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 5-quinolyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 5-quinolinyl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: quinolin-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 5-quinolyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C21H19F3N4O MolecularWeight: 400.39697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)15-7-8-19(26-14-15)27-10-3-11-28(13-12-27)20(29)17-4-1-6-18-16(17)5-2-9-25-18/h1-2,4-9,14H,3,10-13H2