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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-6-thiophen-2-yl-piperidin-4-ol hydrochloride Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-6-(2-thienyl)piperidin-4-ol hydrochloride CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1-phthalazinyl)-6-thiophen-2-yl-4-piperidinol hydrochloride IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazin-1-yl-6-thiophen-2-ylpiperidin-4-ol hydrochloride Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-1-phthalazin-1-yl-6-(2-thienyl)piperidin-4-ol hydrochloride Formula: C25H26Cl2N4O2S MolecularWeight: 517.47054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)C5=CC=CS5)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CC(CC(N2C3=NN=CC4=CC=CC=C43)C5=CC=CS5)O)Cl.Cl

InChI

InChI=1S/C25H25ClN4O2S.ClH/c1-32-22-9-8-16(11-20(22)26)14-27-24-13-18(31)12-21(23-7-4-10-33-23)30(24)25-19-6-3-2-5-17(19)15-28-29-25;/h2-11,15,18,21,24,27,31H,12-14H2,1H3;1H