3-bromanyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]benzamide Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br)OC1

InChI

InChI=1S/C18H17BrN2O4/c19-13-4-1-3-12(9-13)18(23)20-11-17(22)21-14-5-6-15-16(10-14)25-8-2-7-24-15/h1,3-6,9-10H,2,7-8,11H2,(H,20,23)(H,21,22)