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

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-1-phthalazinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrophthalazin-1-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-phthalazin-1-yl]piperazino]ethanol Formula: C22H25ClN6O4 MolecularWeight: 472.9247

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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-])N4CCN(CC4)CCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+](=O)[O-])N4CCN(CC4)CCO)Cl

InChI

InChI=1S/C22H25ClN6O4/c1-33-20-5-2-15(12-19(20)23)14-24-21-18-13-16(29(31)32)3-4-17(18)22(26-25-21)28-8-6-27(7-9-28)10-11-30/h2-5,12-13,30H,6-11,14H2,1H3,(H,24,25)