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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-ethynylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-ethynylphenyl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-ethynylphenyl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-ethynylphenyl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-ethynylphenyl)-4-keto-butyramide Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H19NO4/c1-2-15-5-3-6-17(13-15)22-21(24)10-8-18(23)16-7-9-19-20(14-16)26-12-4-11-25-19/h1,3,5-7,9,13-14H,4,8,10-12H2,(H,22,24)