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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H25FN4O3S/c1-17-8-9-19(16-18(17)2)28-23(29)11-10-22(25-28)26-12-5-13-27(15-14-26)32(30,31)21-7-4-3-6-20(21)24/h3-4,6-11,16H,5,12-15H2,1-2H3