1-[[3-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[[3-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[[3-[[4-(4-acetylpiperazin-1-yl)-3-nitro-benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-[[3-[[[4-(4-acetyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[[3-[[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[3-[[4-(4-acetylpiperazino)-3-nitro-benzoyl]amino]benzyl]pyrrolidine-2-carboxamide Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4CCCC4C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4CCCC4C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O5/c1-17(32)28-10-12-29(13-11-28)21-8-7-19(15-23(21)31(35)36)25(34)27-20-5-2-4-18(14-20)16-30-9-3-6-22(30)24(26)33/h2,4-5,7-8,14-15,22H,3,6,9-13,16H2,1H3,(H2,26,33)(H,27,34)