N-(3,5-dimethylpyridin-2-yl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(3,5-dimethylpyridin-2-yl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(3,5-dimethyl-2-pyridyl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(3,5-dimethyl-2-pyridinyl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(3,5-dimethylpyridin-2-yl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(3,5-dimethyl-2-pyridyl)-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N5O3/c1-12-9-13(2)19(22-11-12)25-21(27)15-5-8-17-18(10-15)24-20(23-17)14-3-6-16(7-4-14)26(28)29/h3-11H,1-2H3,(H,23,24)(H,22,25,27)