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

Systemtic Name: N-[[5-(azepan-1-ylmethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoranyl-N-(2-methylpropyl)benzamide Openeye Name: N-[[5-(azepan-1-ylmethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoro-N-isobutyl-benzamide CAS Name: N-[[5-(1-azepanylmethyl)-1-propyl-2-benzimidazolyl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide IUPAC Name: N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide Traditional Name: N-[[5-(azepan-1-ylmethyl)-1-propyl-benzimidazol-2-yl]methyl]-3-fluoro-N-isobutyl-benzamide Formula: C29H39FN4O MolecularWeight: 478.644563

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)CN3CCCCCC3)N=C1CN(CC(C)C)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)CN3CCCCCC3)N=C1CN(CC(C)C)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H39FN4O/c1-4-14-34-27-13-12-23(20-32-15-7-5-6-8-16-32)17-26(27)31-28(34)21-33(19-22(2)3)29(35)24-10-9-11-25(30)18-24/h9-13,17-18,22H,4-8,14-16,19-21H2,1-3H3