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

Systemtic Name: 1-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazin-6-yl]methyl]piperidin-4-ol Openeye Name: 1-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazin-6-yl]methyl]piperidin-4-ol CAS Name: 1-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinyl]methyl]-4-piperidinol IUPAC Name: 1-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazin-6-yl]methyl]piperidin-4-ol Traditional Name: 1-[[4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazin-6-yl]methyl]piperidin-4-ol Formula: C27H34ClN5O3 MolecularWeight: 512.04356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)CN4CCC(CC4)O)N5CCC(CC5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)CN4CCC(CC4)O)N5CCC(CC5)O)Cl

InChI

InChI=1S/C27H34ClN5O3/c1-36-25-5-3-18(15-24(25)28)16-29-26-23-14-19(17-32-10-6-20(34)7-11-32)2-4-22(23)27(31-30-26)33-12-8-21(35)9-13-33/h2-5,14-15,20-21,34-35H,6-13,16-17H2,1H3,(H,29,30)