1-(2,5-dimethylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one Openeye Name: 1-(2,5-dimethylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one CAS Name: 1-(2,5-dimethylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-2-piperazinone IUPAC Name: 1-(2,5-dimethylphenyl)-4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one Traditional Name: 1-(2,5-dimethylphenyl)-4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazin-2-one Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2=O)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2=O)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C24H25N5O/c1-18-4-5-19(2)23(12-18)29-11-10-27(16-24(29)30)15-22-13-26-17-28(22)14-20-6-8-21(25-3)9-7-20/h4-9,12-13,17H,10-11,14-16H2,1-2H3