4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-morpholin-4-ylpyridin-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-morpholin-4-ylpyridin-3-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-morpholino-3-pyridyl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[6-(4-morpholinyl)-3-pyridinyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-morpholin-4-ylpyridin-3-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(6-morpholino-3-pyridyl)butyramide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CN=C(C=C3)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CN=C(C=C3)N4CCOCC4)OC1

InChI

InChI=1S/C22H25N3O5/c26-18(16-2-5-19-20(14-16)30-11-1-10-29-19)4-7-22(27)24-17-3-6-21(23-15-17)25-8-12-28-13-9-25/h2-3,5-6,14-15H,1,4,7-13H2,(H,24,27)