2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(3-nitrobenzyl)piperazino]cyclohepta-2,4,6-trien-1-one Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=CC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=CC3=O

InChI

InChI=1S/C18H19N3O3/c22-18-8-3-1-2-7-17(18)20-11-9-19(10-12-20)14-15-5-4-6-16(13-15)21(23)24/h1-8,13H,9-12,14H2