N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-4-bromobenzamide Traditional Name: 4-bromo-N-[3-keto-3-(piperonylamino)propyl]benzamide Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

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