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

Systemtic Name: 7-(3-chloranylpropoxy)-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 7-(3-chloropropoxy)-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 7-(3-chloropropoxy)-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 7-(3-chloropropoxy)-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 7-(3-chloropropoxy)-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C25H22ClN3O5 MolecularWeight: 479.91228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O5/c1-30-9-3-5-16-6-7-19(25-24(16)33-15-34-25)29-23-17(13-27)14-28-20-12-22(32-10-4-8-26)21(31-2)11-18(20)23/h6-7,11-12,14H,4,8-10,15H2,1-2H3,(H,28,29)