1-[[5-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[5-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one Openeye Name: 1-[[5-(isocyanomethyl)-1-isopentyl-benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one CAS Name: 1-[[5-(isocyanomethyl)-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3-propan-2-yl-2-benzimidazolone IUPAC Name: 1-[[5-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one Traditional Name: 1-[[1-isoamyl-5-(isocyanomethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O/c1-17(2)12-13-28-21-11-10-19(15-26-5)14-20(21)27-24(28)16-29-22-8-6-7-9-23(22)30(18(3)4)25(29)31/h6-11,14,17-18H,12-13,15-16H2,1-4H3