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

Systemtic Name: 4-ethyl-1-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-2-one Openeye Name: 4-ethyl-1-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]piperazin-2-one CAS Name: 4-ethyl-1-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-2-piperazinone IUPAC Name: 4-ethyl-1-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-2-one Traditional Name: 4-ethyl-1-[[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]methyl]piperazin-2-one Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1)CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCN1CCN(C(=O)C1)CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C17H20N4O2/c1-3-20-8-9-21(17(22)12-20)11-15-10-16(19-23-15)13-4-6-14(18-2)7-5-13/h4-7,15H,3,8-12H2,1H3