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

Systemtic Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S/c1-30-19-8-10-20(11-9-19)31(28,29)25-15-5-14-24(16-17-25)21-12-13-22(27)26(23-21)18-6-3-2-4-7-18/h2-4,6-13H,5,14-17H2,1H3