4-(4-ethanoylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[1-(4-ethylphenyl)ethyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-4-18-5-7-19(8-6-18)16(2)24-23(29)20-9-10-21(22(15-20)27(30)31)26-13-11-25(12-14-26)17(3)28/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,29)