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

Systemtic Name: N-[1-(3-azanylpropyl)benzimidazol-5-yl]-6-chloranyl-1-(phenylmethyl)benzimidazole-2-carboxamide Openeye Name: N-[1-(3-aminopropyl)benzimidazol-5-yl]-1-benzyl-6-chloro-benzimidazole-2-carboxamide CAS Name: N-[1-(3-aminopropyl)-5-benzimidazolyl]-6-chloro-1-(phenylmethyl)-2-benzimidazolecarboxamide IUPAC Name: N-[1-(3-aminopropyl)benzimidazol-5-yl]-1-benzyl-6-chlorobenzimidazole-2-carboxamide Traditional Name: N-[1-(3-aminopropyl)benzimidazol-5-yl]-1-benzyl-6-chloro-benzimidazole-2-carboxamide Formula: C25H23ClN6O MolecularWeight: 458.94272

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN6O/c26-18-7-9-20-23(13-18)32(15-17-5-2-1-3-6-17)24(30-20)25(33)29-19-8-10-22-21(14-19)28-16-31(22)12-4-11-27/h1-3,5-10,13-14,16H,4,11-12,15,27H2,(H,29,33)