1-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-pentane-1,5-dione

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-pentane-1,5-dione Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-pentane-1,5-dione CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-5-phenylpentane-1,5-dione IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-5-phenyl-pentane-1,5-dione Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c25-20(17-5-2-1-3-6-17)7-4-8-21(26)23-15-13-22(14-16-23)18-9-11-19(12-10-18)24(27)28/h1-3,5-6,9-12H,4,7-8,13-16H2