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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (5-bromo-3-methyl-benzofuran-2-yl)-(4-piperonylpiperazino)methanone Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21BrN2O4/c1-14-17-11-16(23)3-5-18(17)29-21(14)22(26)25-8-6-24(7-9-25)12-15-2-4-19-20(10-15)28-13-27-19/h2-5,10-11H,6-9,12-13H2,1H3