[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [5-(3-hydroxy-3-methylbut-1-ynyl)-2-furanyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-20(2,25)10-9-17-7-8-18(28-17)19(24)22-13-11-21(12-14-22)15-3-5-16(6-4-15)23(26)27/h3-8,25H,11-14H2,1-2H3