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

Systemtic Name: 4-chloranyl-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN4O3S/c22-20-19(15-24-27(21(20)28)17-5-2-1-3-6-17)25-11-4-12-26(14-13-25)31(29,30)18-9-7-16(23)8-10-18/h1-3,5-10,15H,4,11-14H2