[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(5-methyl-2-phenyl-furan-3-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(5-methyl-2-phenyl-furan-3-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(5-methyl-2-phenyl-3-furyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(5-methyl-2-phenyl-3-furanyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(5-methyl-2-phenyl-3-furyl)methanone Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O4/c1-15-13-18(21(30-15)16-5-3-2-4-6-16)22(27)25-11-9-24(10-12-25)19-8-7-17(23)14-20(19)26(28)29/h2-8,13-14H,9-12H2,1H3