(phenylmethyl) 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]methyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-24-19-9-7-18(8-10-19)21-13-20(31-25-21)14-26-11-12-27(15-22(26)28)23(29)30-16-17-5-3-2-4-6-17/h2-10,20H,11-16H2