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

Systemtic Name: 5-[(3-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(3-nitrophenyl)methoxy]-2-[(4-phenyl-1-piperazinyl)methyl]-4-pyranone IUPAC Name: 5-[(3-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(3-nitrobenzyl)oxy-2-[(4-phenylpiperazino)methyl]pyran-4-one Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c27-22-14-21(15-24-9-11-25(12-10-24)19-6-2-1-3-7-19)30-17-23(22)31-16-18-5-4-8-20(13-18)26(28)29/h1-8,13-14,17H,9-12,15-16H2