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

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazino]methyl]benzonitrile Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C30H28N4O3/c1-36-28-12-11-23(17-29(28)37-2)27-18-25(24-5-3-4-6-26(24)32-27)30(35)34-15-13-33(14-16-34)20-22-9-7-21(19-31)8-10-22/h3-12,17-18H,13-16,20H2,1-2H3