3-[[4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(2,4-dimethoxyphenyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[8-(2,4-dimethoxyphenyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(2,4-dimethoxyphenyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C29H28N4O2 MolecularWeight: 464.55822

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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=CC=CC(=C5)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O2/c1-34-24-10-11-25(27(18-24)35-2)26-8-4-7-23-9-12-28(31-29(23)26)33-15-13-32(14-16-33)20-22-6-3-5-21(17-22)19-30/h3-12,17-18H,13-16,20H2,1-2H3