N-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N-quinolin-3-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N-quinolin-3-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(isopentylamino)-2-oxo-ethyl]-N-(3-quinolyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-quinolinyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(3-methylbutylamino)-2-oxoethyl]-N-quinolin-3-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(isoamylamino)-2-keto-ethyl]-N-(3-quinolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN(C1=CC2=CC=CC=C2N=C1)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCNC(=O)CN(C1=CC2=CC=CC=C2N=C1)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H27N3O4/c1-17(2)11-12-26-24(29)15-28(19-13-18-7-3-4-8-20(18)27-14-19)25(30)23-16-31-21-9-5-6-10-22(21)32-23/h3-10,13-14,17,23H,11-12,15-16H2,1-2H3,(H,26,29)