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

Systemtic Name: 1-[7-chloranyl-1-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-5-yl]piperidin-4-ol Openeye Name: 1-[7-chloro-1-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-5-yl]piperidin-4-ol CAS Name: 1-[7-chloro-1-[(3-chloro-4-methoxyphenyl)methylamino]-5-phthalazinyl]-4-piperidinol IUPAC Name: 1-[7-chloro-1-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-5-yl]piperidin-4-ol Traditional Name: 1-[7-chloro-1-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-5-yl]piperidin-4-ol Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O2/c1-29-20-3-2-13(8-18(20)23)11-24-21-16-9-14(22)10-19(17(16)12-25-26-21)27-6-4-15(28)5-7-27/h2-3,8-10,12,15,28H,4-7,11H2,1H3,(H,24,26)