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

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Formula: C18H19ClN6O3S MolecularWeight: 434.89986

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6O3S/c19-14-2-4-15(5-3-14)25-18(26)7-6-16(22-25)23-8-1-9-24(11-10-23)29(27,28)17-12-20-13-21-17/h2-7,12-13H,1,8-11H2,(H,20,21)