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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N7O3/c1-17(19-8-5-9-21(14-19)33(35)36)29-26-27-13-12-24(31-26)32-16-28-22-11-10-20(15-23(22)32)30-25(34)18-6-3-2-4-7-18/h2-17H,1H3,(H,30,34)(H,27,29,31)