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

Systemtic Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)piperidino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H20ClN5O/c23-20-19(13-24-28(22(20)29)16-8-2-1-3-9-16)27-12-6-7-15(14-27)21-25-17-10-4-5-11-18(17)26-21/h1-5,8-11,13,15H,6-7,12,14H2,(H,25,26)/t15-/m1/s1