1-[6,7-bis(chloranyl)-1-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-5-yl]piperidin-4-ol

Systemtic Name: 1-[6,7-bis(chloranyl)-1-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-5-yl]piperidin-4-ol Openeye Name: 1-[6,7-dichloro-1-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-5-yl]piperidin-4-ol CAS Name: 1-[6,7-dichloro-1-[(3-chloro-4-methoxyphenyl)methylamino]-5-phthalazinyl]-4-piperidinol IUPAC Name: 1-[6,7-dichloro-1-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-5-yl]piperidin-4-ol Traditional Name: 1-[6,7-dichloro-1-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-5-yl]piperidin-4-ol Formula: C21H21Cl3N4O2 MolecularWeight: 467.77604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C(=C(C=C32)Cl)Cl)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C(=C(C=C32)Cl)Cl)N4CCC(CC4)O)Cl

InChI

InChI=1S/C21H21Cl3N4O2/c1-30-18-3-2-12(8-16(18)22)10-25-21-14-9-17(23)19(24)20(15(14)11-26-27-21)28-6-4-13(29)5-7-28/h2-3,8-9,11,13,29H,4-7,10H2,1H3,(H,25,27)