1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one Openeye Name: 1-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]-3-isopropenyl-benzimidazol-2-one CAS Name: 1-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3-(1-methylethenyl)-2-benzimidazolone IUPAC Name: 1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one Traditional Name: 1-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]-3-isopropenyl-benzimidazol-2-one Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

InChI

InChI=1S/C24H25N5O/c1-16(2)12-13-27-20-11-10-18(25-5)14-19(20)26-23(27)15-28-21-8-6-7-9-22(21)29(17(3)4)24(28)30/h6-11,14,16H,3,12-13,15H2,1-2,4H3