1-[[1-(2-isocyanoethyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[1-(2-isocyanoethyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one Openeye Name: 1-[[1-(2-isocyanoethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one CAS Name: 1-[[1-(2-isocyanoethyl)-2-benzimidazolyl]methyl]-3-propan-2-yl-2-benzimidazolone IUPAC Name: 1-[[1-(2-isocyanoethyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one Traditional Name: 1-[[1-(2-isocyanoethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CC[N+]#[C-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CC[N+]#[C-]

InChI

InChI=1S/C21H21N5O/c1-15(2)26-19-11-7-6-10-18(19)25(21(26)27)14-20-23-16-8-4-5-9-17(16)24(20)13-12-22-3/h4-11,15H,12-14H2,1-2H3