4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-chloranyl-N,N-diethyl-benzamide

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-chloranyl-N,N-diethyl-benzamide Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-chloro-N,N-diethyl-benzamide CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-2-chloro-N,N-diethylbenzamide IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-chloro-N,N-diethylbenzamide Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-chloro-N,N-diethyl-benzamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-3-24(4-2)21(26)16-8-7-15(12-17(16)22)23-20(25)10-6-14-5-9-18-19(11-14)28-13-27-18/h5,7-9,11-12H,3-4,6,10,13H2,1-2H3,(H,23,25)