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

Systemtic Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 2-phenyl-6-(4-p-phenetylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-2-31-20-9-11-21(12-10-20)32(29,30)26-16-6-15-25(17-18-26)22-13-14-23(28)27(24-22)19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-18H2,1H3