2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5-[(3-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-5-(3-nitrobenzyl)oxy-pyran-4-one Formula: C23H22ClN3O5 MolecularWeight: 455.89088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O5/c24-18-4-2-5-19(12-18)26-9-7-25(8-10-26)14-21-13-22(28)23(16-31-21)32-15-17-3-1-6-20(11-17)27(29)30/h1-6,11-13,16H,7-10,14-15H2