2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O4/c1-15-11-20-17(14-29-21(20)12-16(15)2)13-22(26)24-9-7-23(8-10-24)18-3-5-19(6-4-18)25(27)28/h3-6,11-12,14H,7-10,13H2,1-2H3