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

Systemtic Name: 2-phenyl-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-(4-besyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c26-21-13-12-20(22-25(21)18-8-3-1-4-9-18)23-14-7-15-24(17-16-23)29(27,28)19-10-5-2-6-11-19/h1-6,8-13H,7,14-17H2