N-[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-4-bromanyl-benzamide

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-4-bromanyl-benzamide Openeye Name: N-[(1S)-2-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-methyl-2-oxo-ethyl]-4-bromo-benzamide CAS Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]-4-bromobenzamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]-4-bromobenzamide Traditional Name: 4-bromo-N-[(1S)-2-(homopiperonylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O4/c1-12(22-19(24)14-3-5-15(20)6-4-14)18(23)21-9-8-13-2-7-16-17(10-13)26-11-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,21,23)(H,22,24)/t12-/m0/s1