7-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-morpholin-4-yl-phthalazin-1-amine hydrochloride

Systemtic Name: 7-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-morpholin-4-yl-phthalazin-1-amine hydrochloride Openeye Name: 7-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-4-morpholino-phthalazin-1-amine hydrochloride CAS Name: 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-morpholinyl)-1-phthalazinamine hydrochloride IUPAC Name: 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-morpholin-4-ylphthalazin-1-amine hydrochloride Traditional Name: (3-chloro-4-methoxy-benzyl)-(7-chloro-4-morpholino-phthalazin-1-yl)amine hydrochloride Formula: C20H21Cl3N4O2 MolecularWeight: 455.76534

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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)N4CCOCC4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCOCC4)Cl.Cl

InChI

InChI=1S/C20H20Cl2N4O2.ClH/c1-27-18-5-2-13(10-17(18)22)12-23-19-16-11-14(21)3-4-15(16)20(25-24-19)26-6-8-28-9-7-26;/h2-5,10-11H,6-9,12H2,1H3,(H,23,24);1H