1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide CAS Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 1-[4-(4-nitrobenzyl)oxyphenyl]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O4/c33-27(29-16-20-2-1-13-28-15-20)21-5-12-26-25(14-21)30-18-31(26)22-8-10-24(11-9-22)36-17-19-3-6-23(7-4-19)32(34)35/h1-15,18H,16-17H2,(H,29,33)