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

Systemtic Name: N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[[4-(1-oxopropyl)-1-piperazinyl]methyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[(4-propionylpiperazino)methyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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