1-[[5,6-bis(fluoranyl)-1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[5,6-bis(fluoranyl)-1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one Openeye Name: 1-[[5,6-difluoro-1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one CAS Name: 1-[[5,6-difluoro-1-(3-isocyanopropyl)-2-benzimidazolyl]methyl]-3-(1-methylethenyl)-2-benzimidazolone IUPAC Name: 1-[[5,6-difluoro-1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one Traditional Name: 1-[[5,6-difluoro-1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one Formula: C22H19F2N5O MolecularWeight: 407.415966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC(=C(C=C4N3CCC[N+]#[C-])F)F

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC(=C(C=C4N3CCC[N+]#[C-])F)F

InChI

InChI=1S/C22H19F2N5O/c1-14(2)29-19-8-5-4-7-18(19)28(22(29)30)13-21-26-17-11-15(23)16(24)12-20(17)27(21)10-6-9-25-3/h4-5,7-8,11-12H,1,6,9-10,13H2,2H3