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

Systemtic Name: 4-[(7-bromanyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C26H28BrN5O4 MolecularWeight: 554.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=C(C=C4)Br)OCO5)C#N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=C5C(=C(C=C4)Br)OCO5)C#N)OC

InChI

InChI=1S/C26H28BrN5O4/c1-31-7-9-32(10-8-31)6-3-11-34-23-13-21-18(12-22(23)33-2)24(17(14-28)15-29-21)30-20-5-4-19(27)25-26(20)36-16-35-25/h4-5,12-13,15H,3,6-11,16H2,1-2H3,(H,29,30)