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

Systemtic Name: 4-(1,3-benzoxazol-7-ylamino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzoxazol-7-ylamino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-(1,3-benzoxazol-7-ylamino)-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzoxazol-7-ylamino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzoxazol-7-ylamino)-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC=CC5=C4OC=N5)C#N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC=CC5=C4OC=N5)C#N)OC

InChI

InChI=1S/C26H28N6O3/c1-31-8-10-32(11-9-31)7-4-12-34-24-14-22-19(13-23(24)33-2)25(18(15-27)16-28-22)30-21-6-3-5-20-26(21)35-17-29-20/h3,5-6,13-14,16-17H,4,7-12H2,1-2H3,(H,28,30)