4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)13-6-7-16(24-12-13)27-8-3-9-28(11-10-27)19(30)17-14-4-1-2-5-15(14)18(29)26-25-17/h1-2,4-7,12H,3,8-11H2,(H,26,29)