2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidin-4-yl]ethanol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidin-4-yl]ethanol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]-4-piperidyl]ethanol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-1-phthalazinyl]-4-piperidinyl]ethanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrophthalazin-1-yl]piperidin-4-yl]ethanol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-phthalazin-1-yl]-4-piperidyl]ethanol Formula: C23H26ClN5O4 MolecularWeight: 471.93664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+](=O)[O-])N4CCC(CC4)CCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+](=O)[O-])N4CCC(CC4)CCO)Cl

InChI

InChI=1S/C23H26ClN5O4/c1-33-21-5-2-16(12-20(21)24)14-25-22-19-13-17(29(31)32)3-4-18(19)23(27-26-22)28-9-6-15(7-10-28)8-11-30/h2-5,12-13,15,30H,6-11,14H2,1H3,(H,25,26)