1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-bromo-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-4-ol Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)O)Br

InChI

InChI=1S/C21H23BrN4O2/c1-28-19-7-6-14(12-18(19)22)13-23-20-16-4-2-3-5-17(16)21(25-24-20)26-10-8-15(27)9-11-26/h2-7,12,15,27H,8-11,13H2,1H3,(H,23,24)