N-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromanylpropanoylamino)-3-chloranyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromanylpropanoylamino)-3-chloranyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromopropanoylamino)-3-chloro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-1-oxopropyl)amino]-3-chlorobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromopropanoylamino)-3-chlorobenzamide Traditional Name: 4-(3-bromopropanoylamino)-3-chloro-N-piperonyl-benzamide Formula: C18H16BrClN2O4 MolecularWeight: 439.68764

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC(=O)CCBr)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC(=O)CCBr)Cl

InChI

InChI=1S/C18H16BrClN2O4/c19-6-5-17(23)22-14-3-2-12(8-13(14)20)18(24)21-9-11-1-4-15-16(7-11)26-10-25-15/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H,22,23)