4-(1H-benzimidazol-2-ylmethyl)-N-[2,4-bis(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-N-[2,4-bis(fluoranyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide Formula: C20H21F2N5O MolecularWeight: 385.410446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21F2N5O/c21-14-6-7-16(15(22)12-14)25-20(28)27-9-3-8-26(10-11-27)13-19-23-17-4-1-2-5-18(17)24-19/h1-2,4-7,12H,3,8-11,13H2,(H,23,24)(H,25,28)