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

Systemtic Name: N-[5-methyl-2-[1-(phenylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-methyl-2-[1-(phenylmethyl)-2-benzimidazolyl]-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C25H20N6O3 MolecularWeight: 452.4647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N6O3/c1-17-15-23(27-24(32)19-11-13-20(14-12-19)31(33)34)30(28-17)25-26-21-9-5-6-10-22(21)29(25)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,32)