N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[2-[1-[(3-chlorophenyl)methyl]-2-benzimidazolyl]-5-methyl-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-[1-(3-chlorobenzyl)benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C25H18ClN7O5 MolecularWeight: 531.90732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H18ClN7O5/c1-15-9-23(28-24(34)17-11-19(32(35)36)13-20(12-17)33(37)38)31(29-15)25-27-21-7-2-3-8-22(21)30(25)14-16-5-4-6-18(26)10-16/h2-13H,14H2,1H3,(H,28,34)