4-[(5-bromanyl-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Systemtic Name: 4-[(5-bromanyl-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C26H27BrN4O5 MolecularWeight: 555.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4O5/c1-30-7-9-31(10-8-30)6-3-11-33-23-13-20-18(12-22(23)32-2)24(17(14-28)15-29-20)36-25-19(27)4-5-21-26(25)35-16-34-21/h4-5,12-13,15H,3,6-11,16H2,1-2H3