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

Systemtic Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one Openeye Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one CAS Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-3-pyridazinone IUPAC Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one Traditional Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H25FN4O3S/c1-17-4-9-21(16-18(17)2)32(30,31)27-13-3-12-26(14-15-27)22-10-11-23(29)28(25-22)20-7-5-19(24)6-8-20/h4-11,16H,3,12-15H2,1-2H3