ethanedioic acid; [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(3-nitrophenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(3-nitrobenzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O3.C2H2O4/c28-24(22-11-9-21(10-12-22)20-6-2-1-3-7-20)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)27(29)30;3-1(4)2(5)6/h1-12,17H,13-16,18H2;(H,3,4)(H,5,6)