4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-yloxy)-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C26H28N4O5 MolecularWeight: 476.52432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3OC4=CC=CC5=C4OCO5)C#N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3OC4=CC=CC5=C4OCO5)C#N)OC

InChI

InChI=1S/C26H28N4O5/c1-29-8-10-30(11-9-29)7-4-12-32-24-14-20-19(13-23(24)31-2)25(18(15-27)16-28-20)35-22-6-3-5-21-26(22)34-17-33-21/h3,5-6,13-14,16H,4,7-12,17H2,1-2H3