N-[3-(cyclohexylamino)-2-(5-methylfuran-2-yl)-3-oxidanylidene-1-pyridin-3-yl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(cyclohexylamino)-2-(5-methylfuran-2-yl)-3-oxidanylidene-1-pyridin-3-yl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(cyclohexylamino)-2-(5-methyl-2-furyl)-3-oxo-1-(3-pyridyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-(cyclohexylamino)-2-(5-methyl-2-furanyl)-3-oxo-1-(3-pyridinyl)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(cyclohexylamino)-2-(5-methylfuran-2-yl)-3-oxo-1-pyridin-3-ylpropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(cyclohexylamino)-3-keto-2-(5-methyl-2-furyl)-1-(3-pyridyl)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C(C2=CN=CC=C2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(O1)C(C(C2=CN=CC=C2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NC5CCCCC5

InChI

InChI=1S/C28H31N3O5/c1-18-13-14-23(35-18)25(28(33)30-20-9-3-2-4-10-20)26(19-8-7-15-29-16-19)31-27(32)24-17-34-21-11-5-6-12-22(21)36-24/h5-8,11-16,20,24-26H,2-4,9-10,17H2,1H3,(H,30,33)(H,31,32)