N-[2-[(4-ethanoylpiperazin-1-yl)methyl]-1-ethyl-benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-ethanoylpiperazin-1-yl)methyl]-1-ethyl-benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[(4-acetyl-1-piperazinyl)methyl]-1-ethyl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[(4-acetylpiperazino)methyl]-1-ethyl-benzimidazol-5-yl]-3-nitro-benzamide Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)C(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H26N6O4/c1-3-28-21-8-7-18(24-23(31)17-5-4-6-19(13-17)29(32)33)14-20(21)25-22(28)15-26-9-11-27(12-10-26)16(2)30/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,31)