N-[1-[2-[ethyl-(3-nitrophenyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]benzamide

Systemtic Name: N-[1-[2-[ethyl-(3-nitrophenyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]benzamide Openeye Name: N-[1-[2-(N-ethyl-3-nitro-anilino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide CAS Name: N-[1-[2-(N-ethyl-3-nitroanilino)-4-pyrimidinyl]-5-benzimidazolyl]benzamide IUPAC Name: N-[1-[2-(N-ethyl-3-nitroanilino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide Traditional Name: N-[1-[2-(N-ethyl-3-nitro-anilino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide Formula: C26H21N7O3 MolecularWeight: 479.49004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)[N+](=O)[O-])C2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC(=CC=C1)[N+](=O)[O-])C2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N7O3/c1-2-31(20-9-6-10-21(16-20)33(35)36)26-27-14-13-24(30-26)32-17-28-22-15-19(11-12-23(22)32)29-25(34)18-7-4-3-5-8-18/h3-17H,2H2,1H3,(H,29,34)