4-(1,3-benzodioxol-4-ylamino)-7-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-7-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 7-[3-(4-acetylpiperazin-1-yl)-2-hydroxy-propoxy]-4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinoline-3-carbonitrile CAS Name: 7-[3-(4-acetyl-1-piperazinyl)-2-hydroxypropoxy]-4-(1,3-benzodioxol-4-ylamino)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 7-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]-4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinoline-3-carbonitrile Traditional Name: 7-[3-(4-acetylpiperazino)-2-hydroxy-propoxy]-4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinoline-3-carbonitrile Formula: C27H29N5O6 MolecularWeight: 519.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC(COC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=CC=C4)OCO5)C#N)OC)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC(COC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=CC=C4)OCO5)C#N)OC)O

InChI

InChI=1S/C27H29N5O6/c1-17(33)32-8-6-31(7-9-32)14-19(34)15-36-25-11-22-20(10-24(25)35-2)26(18(12-28)13-29-22)30-21-4-3-5-23-27(21)38-16-37-23/h3-5,10-11,13,19,34H,6-9,14-16H2,1-2H3,(H,29,30)