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

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

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