4-(1-benzofuran-7-ylamino)-7-[3-(4-ethanoylpiperazin-1-yl)propoxy]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-7-[3-(4-ethanoylpiperazin-1-yl)propoxy]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-(benzofuran-7-ylamino)-6-methoxy-quinoline-3-carbonitrile CAS Name: 7-[3-(4-acetyl-1-piperazinyl)propoxy]-4-(7-benzofuranylamino)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 7-[3-(4-acetylpiperazin-1-yl)propoxy]-4-(1-benzofuran-7-ylamino)-6-methoxyquinoline-3-carbonitrile Traditional Name: 7-[3-(4-acetylpiperazino)propoxy]-4-(benzofuran-7-ylamino)-6-methoxy-quinoline-3-carbonitrile Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC=CC5=C4OC=C5)C#N)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC=CC5=C4OC=C5)C#N)OC

InChI

InChI=1S/C28H29N5O4/c1-19(34)33-11-9-32(10-12-33)8-4-13-36-26-16-24-22(15-25(26)35-2)27(21(17-29)18-30-24)31-23-6-3-5-20-7-14-37-28(20)23/h3,5-7,14-16,18H,4,8-13H2,1-2H3,(H,30,31)