1-[[1-(3-azanylidene-3-azido-propyl)benzimidazol-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]benzimidazol-2-one

Systemtic Name: 1-[[1-(3-azanylidene-3-azido-propyl)benzimidazol-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]benzimidazol-2-one Openeye Name: 3-[2-[[3-[(4-methoxyphenyl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzimidazol-1-yl]propanimidoyl azide CAS Name: 1-[[1-(3-azido-3-iminopropyl)-2-benzimidazolyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-benzimidazolone IUPAC Name: 3-[2-[[3-[(4-methoxyphenyl)methyl]-2-oxobenzimidazol-1-yl]methyl]benzimidazol-1-yl]propanimidoyl azide Traditional Name: 1-[[1-(3-azido-3-imino-propyl)benzimidazol-2-yl]methyl]-3-p-anisyl-benzimidazol-2-one Formula: C26H24N8O2 MolecularWeight: 480.52116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCC(=N)N=[N+]=[N-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCC(=N)N=[N+]=[N-]

InChI

InChI=1S/C26H24N8O2/c1-36-19-12-10-18(11-13-19)16-33-22-8-4-5-9-23(22)34(26(33)35)17-25-29-20-6-2-3-7-21(20)32(25)15-14-24(27)30-31-28/h2-13,27H,14-17H2,1H3