8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline

Systemtic Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 2-methyl-8-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxy-quinoline Formula: C26H24N6O5 MolecularWeight: 500.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1

InChI

InChI=1S/C26H24N6O5/c1-17-5-7-19-3-2-4-21(23(19)29-17)37-26-24(32(33)34)25(27-15-28-26)31-11-9-30(10-12-31)14-18-6-8-20-22(13-18)36-16-35-20/h2-8,13,15H,9-12,14,16H2,1H3