1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-nitro-phthalazin-5-yl]piperidin-4-ol

Systemtic Name: 1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-nitro-phthalazin-5-yl]piperidin-4-ol Openeye Name: 1-[1-[(3-chloro-4-methoxy-phenyl)methylamino]-7-nitro-phthalazin-5-yl]piperidin-4-ol CAS Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-nitro-5-phthalazinyl]-4-piperidinol IUPAC Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-nitrophthalazin-5-yl]piperidin-4-ol Traditional Name: 1-[1-[(3-chloro-4-methoxy-benzyl)amino]-7-nitro-phthalazin-5-yl]piperidin-4-ol Formula: C21H22ClN5O4 MolecularWeight: 443.88348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C=C(C=C32)[N+](=O)[O-])N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C=C(C=C32)[N+](=O)[O-])N4CCC(CC4)O)Cl

InChI

InChI=1S/C21H22ClN5O4/c1-31-20-3-2-13(8-18(20)22)11-23-21-16-9-14(27(29)30)10-19(17(16)12-24-25-21)26-6-4-15(28)5-7-26/h2-3,8-10,12,15,28H,4-7,11H2,1H3,(H,23,25)