4-chloranyl-2-phenyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pyridazin-3-one Formula: C21H19ClF3N5O MolecularWeight: 449.85667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N5O/c22-19-17(14-27-30(20(19)31)16-5-2-1-3-6-16)28-9-4-10-29(12-11-28)18-8-7-15(13-26-18)21(23,24)25/h1-3,5-8,13-14H,4,9-12H2