1-(4-azanylidene-4-azido-butyl)-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-(4-azanylidene-4-azido-butyl)-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one Openeye Name: 4-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]butanimidoyl azide CAS Name: 1-(4-azido-4-iminobutyl)-3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-benzimidazolone IUPAC Name: 4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]butanimidoyl azide Traditional Name: 1-(4-azido-4-imino-butyl)-3-[(1-isoamylbenzimidazol-2-yl)methyl]benzimidazol-2-one Formula: C24H28N8O MolecularWeight: 444.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N8O/c1-17(2)13-15-30-19-9-4-3-8-18(19)27-23(30)16-32-21-11-6-5-10-20(21)31(24(32)33)14-7-12-22(25)28-29-26/h3-6,8-11,17,25H,7,12-16H2,1-2H3