N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-2,5-bis(fluoranyl)-N-propyl-benzamide

Systemtic Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-2,5-bis(fluoranyl)-N-propyl-benzamide Openeye Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-2,5-difluoro-N-propyl-benzamide CAS Name: N-[[5-(butylaminomethyl)-1-propyl-2-benzimidazolyl]methyl]-2,5-difluoro-N-propylbenzamide IUPAC Name: N-[[5-(butylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-propylbenzamide Traditional Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-2,5-difluoro-N-propyl-benzamide Formula: C26H34F2N4O MolecularWeight: 456.571166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC2=C(C=C1)N(C(=N2)CN(CCC)C(=O)C3=C(C=CC(=C3)F)F)CCC

Isomeric SMILES

CCCCNCC1=CC2=C(C=C1)N(C(=N2)CN(CCC)C(=O)C3=C(C=CC(=C3)F)F)CCC

InChI

InChI=1S/C26H34F2N4O/c1-4-7-12-29-17-19-8-11-24-23(15-19)30-25(32(24)14-6-3)18-31(13-5-2)26(33)21-16-20(27)9-10-22(21)28/h8-11,15-16,29H,4-7,12-14,17-18H2,1-3H3