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

Systemtic Name: 1-[[1-(3-azanylidene-3-azido-propyl)benzimidazol-2-yl]methyl]-3-(phenylmethyl)benzimidazol-2-one Openeye Name: 3-[2-[(3-benzyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide CAS Name: 1-[[1-(3-azido-3-iminopropyl)-2-benzimidazolyl]methyl]-3-(phenylmethyl)-2-benzimidazolone IUPAC Name: 3-[2-[(3-benzyl-2-oxobenzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide Traditional Name: 1-[[1-(3-azido-3-imino-propyl)benzimidazol-2-yl]methyl]-3-benzyl-benzimidazol-2-one Formula: C25H22N8O MolecularWeight: 450.49518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N8O/c26-23(29-30-27)14-15-31-20-11-5-4-10-19(20)28-24(31)17-33-22-13-7-6-12-21(22)32(25(33)34)16-18-8-2-1-3-9-18/h1-13,26H,14-17H2