1-[5-chloranyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[5-chloranyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridyl]pyridazin-4-yl]-1,4-diazepan-5-one CAS Name: 1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyridazinyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[5-chloro-6-keto-1-[5-(trifluoromethyl)-2-pyridyl]pyridazin-4-yl]-1,4-diazepan-5-one Formula: C15H13ClF3N5O2 MolecularWeight: 387.74423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCNC1=O)C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C15H13ClF3N5O2/c16-13-10(23-5-3-12(25)20-4-6-23)8-22-24(14(13)26)11-2-1-9(7-21-11)15(17,18)19/h1-2,7-8H,3-6H2,(H,20,25)