N-(3H-1,2-benzodioxol-6-ylmethyl)-4-[4-(dimethylamino)piperidin-1-yl]-7-nitro-phthalazin-1-amine

Systemtic Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-[4-(dimethylamino)piperidin-1-yl]-7-nitro-phthalazin-1-amine Openeye Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-[4-(dimethylamino)-1-piperidyl]-7-nitro-phthalazin-1-amine CAS Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-[4-(dimethylamino)-1-piperidinyl]-7-nitro-1-phthalazinamine IUPAC Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-[4-(dimethylamino)piperidin-1-yl]-7-nitrophthalazin-1-amine Traditional Name: [1-[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-nitro-phthalazin-1-yl]-4-piperidyl]-dimethyl-amine Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC5=C(COO5)C=C4

Isomeric SMILES

CN(C)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC5=C(COO5)C=C4

InChI

InChI=1S/C23H26N6O4/c1-27(2)17-7-9-28(10-8-17)23-19-6-5-18(29(30)31)12-20(19)22(25-26-23)24-13-15-3-4-16-14-32-33-21(16)11-15/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,24,25)