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

Systemtic Name: 6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-7-(3-piperazinopropoxy)quinoline-3-carbonitrile Formula: C29H31N5O5 MolecularWeight: 529.58694

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)OCCCN5CCNCC5)C#N)OCO2

Isomeric SMILES

COCC#CC1=C2C(=C(C=C1)NC3=C(C=NC4=CC(=C(C=C43)OC)OCCCN5CCNCC5)C#N)OCO2

InChI

InChI=1S/C29H31N5O5/c1-35-13-3-5-20-6-7-23(29-28(20)38-19-39-29)33-27-21(17-30)18-32-24-16-26(25(36-2)15-22(24)27)37-14-4-10-34-11-8-31-9-12-34/h6-7,15-16,18,31H,4,8-14,19H2,1-2H3,(H,32,33)