3-[[1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-4-phenyl-1-(phenylmethyl)imidazol-2-one

Systemtic Name: 3-[[1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-4-phenyl-1-(phenylmethyl)imidazol-2-one Openeye Name: 1-benzyl-3-[[1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-4-phenyl-imidazol-2-one CAS Name: 3-[[1-(3-isocyanopropyl)-2-benzimidazolyl]methyl]-4-phenyl-1-(phenylmethyl)-2-imidazolone IUPAC Name: 1-benzyl-3-[[1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-4-phenylimidazol-2-one Traditional Name: 1-benzyl-3-[[1-(3-isocyanopropyl)benzimidazol-2-yl]methyl]-4-phenyl-4-imidazolin-2-one Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCCN1C2=CC=CC=C2N=C1CN3C(=CN(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[C-]#[N+]CCCN1C2=CC=CC=C2N=C1CN3C(=CN(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O/c1-29-17-10-18-32-25-16-9-8-15-24(25)30-27(32)21-33-26(23-13-6-3-7-14-23)20-31(28(33)34)19-22-11-4-2-5-12-22/h2-9,11-16,20H,10,17-19,21H2