1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]propyl]azepan-2-one Openeye Name: 1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxo-pyridazin-4-yl]amino]propyl]azepan-2-one CAS Name: 1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxo-4-pyridazinyl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]amino]propyl]azepan-2-one Traditional Name: 1-[3-[[1-(1H-benzimidazol-2-yl)-5-chloro-6-keto-pyridazin-4-yl]amino]propyl]azepan-2-one Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C20H23ClN6O2/c21-18-16(22-10-6-12-26-11-5-1-2-9-17(26)28)13-23-27(19(18)29)20-24-14-7-3-4-8-15(14)25-20/h3-4,7-8,13,22H,1-2,5-6,9-12H2,(H,24,25)