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

Systemtic Name: 6-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-(4-brosyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O3S/c22-17-7-9-19(10-8-17)30(28,29)25-14-4-13-24(15-16-25)20-11-12-21(27)26(23-20)18-5-2-1-3-6-18/h1-3,5-12H,4,13-16H2