2-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-6-pyrazol-1-yl-piperidin-4-ol hydrochloride

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-6-pyrazol-1-yl-piperidin-4-ol hydrochloride Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-6-pyrazol-1-yl-piperidin-4-ol hydrochloride CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylamino]-1-(1-phthalazinyl)-6-(1-pyrazolyl)-4-piperidinol hydrochloride IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylamino]-1-phthalazin-1-yl-6-pyrazol-1-ylpiperidin-4-ol hydrochloride Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)amino]-1-phthalazin-1-yl-6-pyrazol-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)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)N5C=CC=N5)O)Br.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)N5C=CC=N5)O)Br.Cl

InChI

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