4-(1-benzofuran-7-ylamino)-7-[3-(1-methylpiperidin-4-yl)propoxy]quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-7-[3-(1-methylpiperidin-4-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-(benzofuran-7-ylamino)-7-[3-(1-methyl-4-piperidyl)propoxy]quinoline-3-carbonitrile CAS Name: 4-(7-benzofuranylamino)-7-[3-(1-methyl-4-piperidinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1-benzofuran-7-ylamino)-7-[3-(1-methylpiperidin-4-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-(benzofuran-7-ylamino)-7-[3-(1-methyl-4-piperidyl)propoxy]quinoline-3-carbonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CCCOC2=CC3=NC=C(C(=C3C=C2)NC4=CC=CC5=C4OC=C5)C#N

Isomeric SMILES

CN1CCC(CC1)CCCOC2=CC3=NC=C(C(=C3C=C2)NC4=CC=CC5=C4OC=C5)C#N

InChI

InChI=1S/C27H28N4O2/c1-31-12-9-19(10-13-31)4-3-14-32-22-7-8-23-25(16-22)29-18-21(17-28)26(23)30-24-6-2-5-20-11-15-33-27(20)24/h2,5-8,11,15-16,18-19H,3-4,9-10,12-14H2,1H3,(H,29,30)