1-[(6E)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(nitrosomethylidene)-2H-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[(6E)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(nitrosomethylidene)-2H-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[(6E)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(nitrosomethylene)-2H-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[(6E)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(nitrosomethylidene)-2H-phthalazin-1-yl]-4-piperidinol IUPAC Name: 1-[(6E)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(nitrosomethylidene)-2H-phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[(6E)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-(nitrosomethylene)-2H-phthalazin-1-yl]piperidin-4-ol Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NNC(=C3C2=CC(=CN=O)C=C3)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NNC(=C3C2=C/C(=C/N=O)/C=C3)N4CCC(CC4)O)Cl

InChI

InChI=1S/C22H24ClN5O3/c1-31-20-5-3-15(11-19(20)23)12-24-21-18-10-14(13-25-30)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,13,16,27,29H,6-9,12H2,1H3,(H,24,26)/b14-13+