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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carboxamide Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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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)N)N4CCC(CC4)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O3/c1-31-19-5-2-13(10-18(19)23)12-25-21-17-11-14(20(24)30)3-4-16(17)22(27-26-21)28-8-6-15(29)7-9-28/h2-5,10-11,15,29H,6-9,12H2,1H3,(H2,24,30)(H,25,26)