1-[[4-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[4-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one Openeye Name: 1-[[4-(isocyanomethyl)-1-isopentyl-benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one CAS Name: 1-[[4-(isocyanomethyl)-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3-propan-2-yl-2-benzimidazolone IUPAC Name: 1-[[4-(isocyanomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one Traditional Name: 1-[[1-isoamyl-4-(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=CC=CC(=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C)C[N+]#[C-]

Isomeric SMILES

CC(C)CCN1C2=CC=CC(=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C)C[N+]#[C-]

InChI

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