2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]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=CC=C2F)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

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