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

Systemtic Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(2-thienyl)-2-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one CAS Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1-phthalazinone IUPAC Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(2-thienyl)-2-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]phthalazin-1-one Formula: C24H22F3N5OS MolecularWeight: 485.52459

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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=CS5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H22F3N5OS/c25-24(26,27)17-8-9-21(28-15-17)31-11-4-10-30(12-13-31)16-32-23(33)19-6-2-1-5-18(19)22(29-32)20-7-3-14-34-20/h1-3,5-9,14-15H,4,10-13,16H2