4-(4-ethanoylpiperazin-1-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[3-(1-imidazolylmethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitro-benzamide Formula: C23H24N6O4 MolecularWeight: 448.47446

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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)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4/c1-17(30)27-9-11-28(12-10-27)21-6-5-19(14-22(21)29(32)33)23(31)25-20-4-2-3-18(13-20)15-26-8-7-24-16-26/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,31)