6-chloranyl-1-(phenylmethyl)-N-[1-[3-(pyridin-3-ylcarbonylamino)propyl]benzimidazol-5-yl]benzimidazole-2-carboxamide

Systemtic Name: 6-chloranyl-1-(phenylmethyl)-N-[1-[3-(pyridin-3-ylcarbonylamino)propyl]benzimidazol-5-yl]benzimidazole-2-carboxamide Openeye Name: 1-benzyl-6-chloro-N-[1-[3-(pyridine-3-carbonylamino)propyl]benzimidazol-5-yl]benzimidazole-2-carboxamide CAS Name: 6-chloro-N-[1-[3-[[oxo(3-pyridinyl)methyl]amino]propyl]-5-benzimidazolyl]-1-(phenylmethyl)-2-benzimidazolecarboxamide IUPAC Name: 1-benzyl-6-chloro-N-[1-[3-(pyridine-3-carbonylamino)propyl]benzimidazol-5-yl]benzimidazole-2-carboxamide Traditional Name: 1-benzyl-6-chloro-N-[1-(3-nicotinamidopropyl)benzimidazol-5-yl]benzimidazole-2-carboxamide Formula: C31H26ClN7O2 MolecularWeight: 564.03684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)N=C2C(=O)NC4=CC5=C(C=C4)N(C=N5)CCCNC(=O)C6=CN=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)N=C2C(=O)NC4=CC5=C(C=C4)N(C=N5)CCCNC(=O)C6=CN=CC=C6

InChI

InChI=1S/C31H26ClN7O2/c32-23-9-11-25-28(16-23)39(19-21-6-2-1-3-7-21)29(37-25)31(41)36-24-10-12-27-26(17-24)35-20-38(27)15-5-14-34-30(40)22-8-4-13-33-18-22/h1-4,6-13,16-18,20H,5,14-15,19H2,(H,34,40)(H,36,41)