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

Systemtic Name: 2-methyl-8-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]oxy-quinoline Openeye Name: 8-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 2-methyl-8-[[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C26H25N5O3/c1-18-10-11-21-8-5-9-22(23(21)29-18)34-26-24(31(32)33)25(27-17-28-26)30-14-12-20(13-15-30)16-19-6-3-2-4-7-19/h2-11,17,20H,12-16H2,1H3