2-(2-chloranylpyridin-3-yl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazole

Systemtic Name: 2-(2-chloranylpyridin-3-yl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazole Openeye Name: 2-(2-chloro-3-pyridyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazole CAS Name: 2-(2-chloro-3-pyridinyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazole IUPAC Name: 2-(2-chloropyridin-3-yl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]benzimidazole Traditional Name: 2-(2-chloro-3-pyridyl)-5,6-dimethyl-1-(4-nitrobenzyl)benzimidazole Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C3=C(N=CC=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)C3=C(N=CC=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN4O2/c1-13-10-18-19(11-14(13)2)25(12-15-5-7-16(8-6-15)26(27)28)21(24-18)17-4-3-9-23-20(17)22/h3-11H,12H2,1-2H3