N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoranyl-N-(2-methylpropyl)benzamide

Systemtic Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoranyl-N-(2-methylpropyl)benzamide Openeye Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoro-N-isobutyl-benzamide CAS Name: N-[[5-(butylaminomethyl)-1-propyl-2-benzimidazolyl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide IUPAC Name: N-[[5-(butylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide Traditional Name: N-[[5-(butylaminomethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoro-N-isobutyl-benzamide Formula: C27H37FN4O MolecularWeight: 452.607283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN4O/c1-5-7-13-29-17-21-11-12-25-24(15-21)30-26(32(25)14-6-2)19-31(18-20(3)4)27(33)22-9-8-10-23(28)16-22/h8-12,15-16,20,29H,5-7,13-14,17-19H2,1-4H3