4-(1-benzofuran-7-ylamino)-7-[3-[4-(2-fluoranylethyl)piperazin-1-yl]propoxy]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-7-[3-[4-(2-fluoranylethyl)piperazin-1-yl]propoxy]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(benzofuran-7-ylamino)-7-[3-[4-(2-fluoroethyl)piperazin-1-yl]propoxy]-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(7-benzofuranylamino)-7-[3-[4-(2-fluoroethyl)-1-piperazinyl]propoxy]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1-benzofuran-7-ylamino)-7-[3-[4-(2-fluoroethyl)piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(benzofuran-7-ylamino)-7-[3-[4-(2-fluoroethyl)piperazino]propoxy]-6-methoxy-quinoline-3-carbonitrile Formula: C28H30FN5O3 MolecularWeight: 503.567903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCN5CCN(CC5)CCF

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCN5CCN(CC5)CCF

InChI

InChI=1S/C28H30FN5O3/c1-35-25-16-22-24(17-26(25)36-14-3-8-33-10-12-34(9-7-29)13-11-33)31-19-21(18-30)27(22)32-23-5-2-4-20-6-15-37-28(20)23/h2,4-6,15-17,19H,3,7-14H2,1H3,(H,31,32)