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

Systemtic Name: 5-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(azepane-1-carbonyl)-1-piperidyl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(azepane-1-carbonyl)piperidino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O2/c23-20-19(16-24-27(22(20)29)18-8-4-3-5-9-18)25-14-10-17(11-15-25)21(28)26-12-6-1-2-7-13-26/h3-5,8-9,16-17H,1-2,6-7,10-15H2