ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-phthalazin-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitrophthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[6-nitro-4-(piperonylamino)phthalazin-1-yl]isonipecotic acid ethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N5O6/c1-2-33-24(30)16-7-9-28(10-8-16)23-18-5-4-17(29(31)32)12-19(18)22(26-27-23)25-13-15-3-6-20-21(11-15)35-14-34-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,25,26)