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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-prop-2-ynyl-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-prop-2-ynyl-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-prop-2-ynylbutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-prop-2-ynylbutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-propargyl-butyramide Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C#CCNC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H17NO4/c1-2-8-17-16(19)7-5-13(18)12-4-6-14-15(11-12)21-10-3-9-20-14/h1,4,6,11H,3,5,7-10H2,(H,17,19)