6-[4-[2,5-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-[2,5-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C21H20F2N4O3S MolecularWeight: 446.470306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N4O3S/c22-16-7-8-18(23)19(15-16)31(29,30)26-12-4-11-25(13-14-26)20-9-10-21(28)27(24-20)17-5-2-1-3-6-17/h1-3,5-10,15H,4,11-14H2