2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methylisoxazol-3-yl)butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(5-methylisoxazol-3-yl)butyramide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21N3O4/c1-3-13(17(21)19-16-9-11(2)24-20-16)18-12-5-6-14-15(10-12)23-8-4-7-22-14/h5-6,9-10,13,18H,3-4,7-8H2,1-2H3,(H,19,20,21)