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

Systemtic Name: [1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrophthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-phthalazin-1-yl]-4-piperidyl]methanol Formula: C22H24ClN5O4 MolecularWeight: 457.91006

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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)CO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O4/c1-32-20-5-2-15(10-19(20)23)12-24-21-18-11-16(28(30)31)3-4-17(18)22(26-25-21)27-8-6-14(13-29)7-9-27/h2-5,10-11,14,29H,6-9,12-13H2,1H3,(H,24,25)