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

Systemtic Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3/c1-17-9-10-18(25-27-20-7-3-4-8-21(20)28-25)15-22(17)29-26(32)19-11-12-23(24(16-19)31(33)34)30-13-5-2-6-14-30/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,28)(H,29,32)