2-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylamino]-1-(1-phthalazinyl)-4-piperidinol IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylamino]-1-phthalazin-1-ylpiperidin-4-ol Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)amino]-1-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)CNC2CC(CCN2C3=NN=CC4=CC=CC=C43)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CC(CCN2C3=NN=CC4=CC=CC=C43)O)Br

InChI

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