N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(4-bromanylbutanoylamino)-5-chloranyl-benzamide

Systemtic Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(4-bromanylbutanoylamino)-5-chloranyl-benzamide Openeye Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(4-bromobutanoylamino)-5-chloro-benzamide CAS Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-[(4-bromo-1-oxobutyl)amino]-5-chlorobenzamide IUPAC Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(4-bromobutanoylamino)-5-chlorobenzamide Traditional Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-2-(4-bromobutanoylamino)-5-chloro-benzamide Formula: C19H18BrClN2O4 MolecularWeight: 453.71422

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCCBr)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCCBr)OO1

InChI

InChI=1S/C19H18BrClN2O4/c20-7-1-2-18(24)23-16-6-5-14(21)9-15(16)19(25)22-10-12-3-4-13-11-26-27-17(13)8-12/h3-6,8-9H,1-2,7,10-11H2,(H,22,25)(H,23,24)