4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carboxylic acid chloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carboxylic acid chloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carboxylic acid chloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarboxylic acid chloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carboxylic acid chloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carboxylic acid chloride Formula: C22H23Cl2N4O4- MolecularWeight: 478.34842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4.ClH/c1-31-19-5-2-13(10-18(19)23)12-24-20-17-11-14(22(29)30)3-4-16(17)21(26-25-20)27-8-6-15(28)7-9-27;/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,24,25)(H,29,30);1H/p-1