4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-quinolin-5-yl-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-quinolin-5-yl-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(5-quinolyl)butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(5-quinolinyl)butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-quinolin-5-ylbutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(5-quinolyl)butyramide Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC=CC4=C3C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC=CC4=C3C=CC=N4)OC1

InChI

InChI=1S/C22H20N2O4/c25-19(15-7-9-20-21(14-15)28-13-3-12-27-20)8-10-22(26)24-18-6-1-5-17-16(18)4-2-11-23-17/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,24,26)