[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-bromanyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-bromanyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-bromobenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-bromo-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-bromo-1-benzofuran-2-yl)methanone Traditional Name: (7-bromobenzofuran-2-yl)-(4-piperonylpiperazino)methanone Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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