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

Systemtic Name: 4-[(7-cyano-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-[(7-cyano-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-[(7-cyano-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(7-cyano-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-[(7-cyano-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O4/c1-32-7-9-33(10-8-32)6-3-11-35-24-13-22-20(12-23(24)34-2)25(19(15-29)16-30-22)31-21-5-4-18(14-28)26-27(21)37-17-36-26/h4-5,12-13,16H,3,6-11,17H2,1-2H3,(H,30,31)