1-(5-azanylidene-5-azido-pentyl)-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-(5-azanylidene-5-azido-pentyl)-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one Openeye Name: 5-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]pentanimidoyl azide CAS Name: 1-(5-azido-5-iminopentyl)-3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-benzimidazolone IUPAC Name: 5-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]pentanimidoyl azide Traditional Name: 1-(5-azido-5-imino-pentyl)-3-[(1-isoamylbenzimidazol-2-yl)methyl]benzimidazol-2-one Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N8O/c1-18(2)14-16-31-20-10-4-3-9-19(20)28-24(31)17-33-22-12-6-5-11-21(22)32(25(33)34)15-8-7-13-23(26)29-30-27/h3-6,9-12,18,26H,7-8,13-17H2,1-2H3