4-(1-benzofuran-7-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-(benzofuran-7-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-(7-benzofuranylamino)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1-benzofuran-7-ylamino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-(benzofuran-7-ylamino)-6-methoxy-7-(3-piperazinopropoxy)quinoline-3-carbonitrile Formula: C26H27N5O3 MolecularWeight: 457.52428

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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)OCCCN5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCN5CCNCC5

InChI

InChI=1S/C26H27N5O3/c1-32-23-14-20-22(15-24(23)33-12-3-9-31-10-7-28-8-11-31)29-17-19(16-27)25(20)30-21-5-2-4-18-6-13-34-26(18)21/h2,4-6,13-15,17,28H,3,7-12H2,1H3,(H,29,30)