1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-one hydrochloride

Systemtic Name: 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-one hydrochloride Openeye Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-one hydrochloride CAS Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinone hydrochloride IUPAC Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-one hydrochloride Traditional Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-4-piperidone hydrochloride Formula: C21H21Cl3N4O2 MolecularWeight: 467.77604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCC(=O)CC4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCC(=O)CC4)Cl.Cl

InChI

InChI=1S/C21H20Cl2N4O2.ClH/c1-29-19-5-2-13(10-18(19)23)12-24-20-17-11-14(22)3-4-16(17)21(26-25-20)27-8-6-15(28)7-9-27;/h2-5,10-11H,6-9,12H2,1H3,(H,24,25);1H