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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidin-4-ol hydrochloride Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidin-4-ol hydrochloride CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-1-phthalazinyl]-4-piperidinol hydrochloride IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrophthalazin-1-yl]piperidin-4-ol hydrochloride Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-phthalazin-1-yl]piperidin-4-ol hydrochloride Formula: C21H23Cl2N5O4 MolecularWeight: 480.34442

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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)O)Cl.Cl

Isomeric SMILES

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

InChI

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