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

Systemtic Name: 6,7-dimethoxy-4-[[6-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[6-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[6-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[6-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[6-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=C2C(=C1)OCO2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N

Isomeric SMILES

COCC#CC1=CC(=C2C(=C1)OCO2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N

InChI

InChI=1S/C23H19N3O5/c1-27-6-4-5-14-7-18(23-21(8-14)30-13-31-23)26-22-15(11-24)12-25-17-10-20(29-3)19(28-2)9-16(17)22/h7-10,12H,6,13H2,1-3H3,(H,25,26)