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

Systemtic Name: 1-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methyl-piperazin-2-one Openeye Name: 1-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-piperazin-2-one CAS Name: 1-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-piperazinone IUPAC Name: 1-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylpiperazin-2-one Traditional Name: 1-[[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]methyl]-4-methyl-piperazin-2-one Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(=O)C1)CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CN1CCN(C(=O)C1)CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C16H18N4O2/c1-17-13-5-3-12(4-6-13)15-9-14(22-18-15)10-20-8-7-19(2)11-16(20)21/h3-6,14H,7-11H2,2H3