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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazin-6-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazin-6-yl]piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazin-6-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazin-6-yl]piperidin-4-ol Formula: C26H32ClN5O3 MolecularWeight: 498.01698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4CCC(CC4)O)N5CCC(CC5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4CCC(CC4)O)N5CCC(CC5)O)Cl

InChI

InChI=1S/C26H32ClN5O3/c1-35-24-5-2-17(14-23(24)27)16-28-25-22-15-18(31-10-6-19(33)7-11-31)3-4-21(22)26(30-29-25)32-12-8-20(34)9-13-32/h2-5,14-15,19-20,33-34H,6-13,16H2,1H3,(H,28,29)