[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromobenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-1-benzofuran-2-yl)methanone Traditional Name: (5-bromobenzofuran-2-yl)-(4-piperonylpiperazino)methanone Formula: C21H19BrN2O4 MolecularWeight: 443.29056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C21H19BrN2O4/c22-16-2-4-17-15(10-16)11-20(28-17)21(25)24-7-5-23(6-8-24)12-14-1-3-18-19(9-14)27-13-26-18/h1-4,9-11H,5-8,12-13H2