1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]piperidin-4-ol hydrochloride

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]piperidin-4-ol hydrochloride Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]piperidin-4-ol hydrochloride CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-(1-pyrazolyl)-1-phthalazinyl]-4-piperidinol hydrochloride IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-pyrazol-1-ylphthalazin-1-yl]piperidin-4-ol hydrochloride Traditional Name: 1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-pyrazol-1-yl-phthalazin-1-yl]piperidin-4-ol hydrochloride Formula: C24H26BrClN6O2 MolecularWeight: 545.85924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC(CC5)O)Br.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC(CC5)O)Br.Cl

InChI

InChI=1S/C24H25BrN6O2.ClH/c1-33-22-6-3-16(13-21(22)25)15-26-23-20-14-17(31-10-2-9-27-31)4-5-19(20)24(29-28-23)30-11-7-18(32)8-12-30;/h2-6,9-10,13-14,18,32H,7-8,11-12,15H2,1H3,(H,26,28);1H