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

Systemtic Name: 4-phenyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Openeye Name: 4-phenyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one CAS Name: 4-phenyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1-phthalazinone IUPAC Name: 4-phenyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Traditional Name: 4-phenyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Formula: C26H24F3N5O MolecularWeight: 479.49687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24F3N5O/c27-26(28,29)20-11-12-23(30-17-20)33-14-6-13-32(15-16-33)18-34-25(35)22-10-5-4-9-21(22)24(31-34)19-7-2-1-3-8-19/h1-5,7-12,17H,6,13-16,18H2