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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-thiophen-2-yl-phthalazin-1-yl]piperidin-4-ol hydrochloride Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(2-thienyl)phthalazin-1-yl]piperidin-4-ol hydrochloride CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-thiophen-2-yl-1-phthalazinyl]-4-piperidinol hydrochloride IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-thiophen-2-ylphthalazin-1-yl]piperidin-4-ol hydrochloride Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-(2-thienyl)phthalazin-1-yl]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)CNC2=NN=C(C3=C2C=C(C=C3)C4=CC=CS4)N5CCC(CC5)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C4=CC=CS4)N5CCC(CC5)O)Cl.Cl

InChI

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