(5-tert-butyl-2-methyl-furan-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-furan-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-3-furyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-furanyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-2-methylfuran-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-3-furyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-14-17(13-18(27-14)20(2,3)4)19(24)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(25)26/h5-8,13H,9-12H2,1-4H3