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

Systemtic Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-(3-methylphenyl)piperazin-2-one Openeye Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-(m-tolyl)piperazin-2-one CAS Name: 4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-(3-methylphenyl)-2-piperazinone IUPAC Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-(3-methylphenyl)piperazin-2-one Traditional Name: 4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]-1-(m-tolyl)piperazin-2-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O/c1-18-4-3-5-21(12-18)28-11-10-26(16-23(28)29)15-22-13-25-17-27(22)14-19-6-8-20(24-2)9-7-19/h3-9,12-13,17H,10-11,14-16H2,1H3