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

Systemtic Name: [1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methoxy-benzyl)amino]phthalazin-1-yl]-4-piperidyl]methanol Formula: C22H25BrN4O2 MolecularWeight: 457.3635

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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)CO)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O2/c1-29-20-7-6-16(12-19(20)23)13-24-21-17-4-2-3-5-18(17)22(26-25-21)27-10-8-15(14-28)9-11-27/h2-7,12,15,28H,8-11,13-14H2,1H3,(H,24,25)