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

Systemtic Name: 2-phenyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one CAS Name: 2-phenyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one Traditional Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c27-22-13-12-21(23-26(22)20-10-5-2-6-11-20)24-14-7-15-25(17-16-24)30(28,29)18-19-8-3-1-4-9-19/h1-6,8-13H,7,14-18H2