4-bromanyl-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-3-keto-propyl]benzamide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-14(16-5-8-18-19(13-16)28-12-2-11-27-18)24-20(25)9-10-23-21(26)15-3-6-17(22)7-4-15/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)(H,24,25)