5-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one

Systemtic Name: 5-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one Openeye Name: 5-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one CAS Name: 5-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(1H-benzimidazol-2-yl)-4-chloro-3-pyridazinone IUPAC Name: 5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloropyridazin-3-one Traditional Name: 5-[4-(azepane-1-carbonyl)piperidino]-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one Formula: C23H27ClN6O2 MolecularWeight: 454.95248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H27ClN6O2/c24-20-19(15-25-30(22(20)32)23-26-17-7-3-4-8-18(17)27-23)28-13-9-16(10-14-28)21(31)29-11-5-1-2-6-12-29/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,26,27)