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

Systemtic Name: (5-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-3-methyl-benzofuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (5-bromo-3-methyl-2-benzofuranyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-3-methyl-benzofuran-2-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O4/c1-13-17-12-14(21)2-7-18(17)28-19(13)20(25)23-10-8-22(9-11-23)15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11H2,1H3