8-(2,4-dimethoxyphenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline

Systemtic Name: 8-(2,4-dimethoxyphenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline Openeye Name: 8-(2,4-dimethoxyphenyl)-2-[4-(3-pyridylmethyl)piperazin-1-yl]quinoline CAS Name: 8-(2,4-dimethoxyphenyl)-2-[4-(3-pyridinylmethyl)-1-piperazinyl]quinoline IUPAC Name: 8-(2,4-dimethoxyphenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline Traditional Name: 8-(2,4-dimethoxyphenyl)-2-[4-(3-pyridylmethyl)piperazino]quinoline Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CN=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CN=CC=C5)OC

InChI

InChI=1S/C27H28N4O2/c1-32-22-9-10-23(25(17-22)33-2)24-7-3-6-21-8-11-26(29-27(21)24)31-15-13-30(14-16-31)19-20-5-4-12-28-18-20/h3-12,17-18H,13-16,19H2,1-2H3