[5-[[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(8-hydroxy-2-quinolinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

InChI

InChI=1S/C23H25N3O5/c1-16(27)30-15-19-8-7-18(31-19)14-25-10-3-11-26(13-12-25)23(29)20-9-6-17-4-2-5-21(28)22(17)24-20/h2,4-9,28H,3,10-15H2,1H3