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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carboxylic acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4/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)