8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline

Systemtic Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O4/c1-17-6-7-18-4-3-5-21(22(18)28-17)35-25-23(31(32)33)24(26-16-27-25)30-14-12-29(13-15-30)19-8-10-20(34-2)11-9-19/h3-11,16H,12-15H2,1-2H3