6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CN=CN2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CN=CN2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3S/c25-18-8-7-16(21-24(18)15-5-2-1-3-6-15)22-9-4-10-23(12-11-22)28(26,27)17-13-19-14-20-17/h1-3,5-8,13-14H,4,9-12H2,(H,19,20)