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

Systemtic Name: ethyl 2-[4-[[3-(4-isocyanophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[3-(4-isocyanophenyl)isoxazol-5-yl]methyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[3-(4-isocyanophenyl)-5-isoxazolyl]methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-(4-isocyanophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[[3-(4-isocyanophenyl)isoxazol-5-yl]methyl]piperazino]acetic acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C19H22N4O3/c1-3-25-19(24)14-23-10-8-22(9-11-23)13-17-12-18(21-26-17)15-4-6-16(20-2)7-5-15/h4-7,12H,3,8-11,13-14H2,1H3