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

Systemtic Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one Openeye Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one CAS Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-3-pyridazinone IUPAC Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-fluorophenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-6-(4-p-phenetylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O4S/c1-2-32-20-8-10-21(11-9-20)33(30,31)27-15-3-14-26(16-17-27)22-12-13-23(29)28(25-22)19-6-4-18(24)5-7-19/h4-13H,2-3,14-17H2,1H3