1-(3-iodanylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one

Systemtic Name: 1-(3-iodanylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one Openeye Name: 1-(3-iodophenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one CAS Name: 1-(3-iodophenyl)-4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-2-piperazinone IUPAC Name: 1-(3-iodophenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one Traditional Name: 1-(3-iodophenyl)-4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazin-2-one Formula: C22H20IN5O MolecularWeight: 497.33157

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)I

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)I

InChI

InChI=1S/C22H20IN5O/c1-24-19-7-5-17(6-8-19)13-27-16-25-12-21(27)14-26-9-10-28(22(29)15-26)20-4-2-3-18(23)11-20/h2-8,11-12,16H,9-10,13-15H2