6,7-dimethoxy-4-[[7-(3-piperazin-1-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-4-[[7-(3-piperazin-1-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[7-(3-piperazin-1-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-[3-(1-piperazinyl)prop-1-ynyl]-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[7-(3-piperazin-1-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-(3-piperazinoprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCN5CCNCC5)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCN5CCNCC5)OCO4)OC

InChI

InChI=1S/C26H25N5O4/c1-32-22-12-19-21(13-23(22)33-2)29-15-18(14-27)24(19)30-20-6-5-17(25-26(20)35-16-34-25)4-3-9-31-10-7-28-8-11-31/h5-6,12-13,15,28H,7-11,16H2,1-2H3,(H,29,30)