2-[[1-[2-(2-methoxypyridin-4-yl)-4-nitro-phenyl]piperidin-4-yl]oxymethyl]quinoline

Systemtic Name: 2-[[1-[2-(2-methoxypyridin-4-yl)-4-nitro-phenyl]piperidin-4-yl]oxymethyl]quinoline Openeye Name: 2-[[1-[2-(2-methoxy-4-pyridyl)-4-nitro-phenyl]-4-piperidyl]oxymethyl]quinoline CAS Name: 2-[[1-[2-(2-methoxy-4-pyridinyl)-4-nitrophenyl]-4-piperidinyl]oxymethyl]quinoline IUPAC Name: 2-[[1-[2-(2-methoxypyridin-4-yl)-4-nitrophenyl]piperidin-4-yl]oxymethyl]quinoline Traditional Name: 2-[[1-[2-(2-methoxy-4-pyridyl)-4-nitro-phenyl]-4-piperidyl]oxymethyl]quinoline Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=NC=CC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N4O4/c1-34-27-16-20(10-13-28-27)24-17-22(31(32)33)8-9-26(24)30-14-11-23(12-15-30)35-18-21-7-6-19-4-2-3-5-25(19)29-21/h2-10,13,16-17,23H,11-12,14-15,18H2,1H3