5-nitro-1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2H-indazol-3-one hydrochloride

Systemtic Name: 5-nitro-1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2H-indazol-3-one hydrochloride Openeye Name: 5-nitro-1-[[2-(1-piperidylmethyl)phenyl]methyl]-2H-indazol-3-one hydrochloride CAS Name: 5-nitro-1-[[2-(1-piperidinylmethyl)phenyl]methyl]-2H-indazol-3-one hydrochloride IUPAC Name: 5-nitro-1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2H-indazol-3-one hydrochloride Traditional Name: 5-nitro-1-[2-(piperidinomethyl)benzyl]indazolin-3-one hydrochloride Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3.Cl

InChI

InChI=1S/C20H22N4O3.ClH/c25-20-18-12-17(24(26)27)8-9-19(18)23(21-20)14-16-7-3-2-6-15(16)13-22-10-4-1-5-11-22;/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,21,25);1H