tert-butyl 4-[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]-1-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]-1-(phenylmethyl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-benzyl-4-[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]piperazine-2-carboxylate CAS Name: 4-[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]-1-(phenylmethyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]piperazine-2-carboxylate Traditional Name: 1-benzyl-4-[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]piperazine-2-carboxylic acid tert-butyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1CC2=CC=CC=C2)C3CN(C(=O)O3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1CC2=CC=CC=C2)C3CN(C(=O)O3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H30N4O4/c1-26(2,3)34-24(31)22-17-29(14-13-28(22)16-20-7-5-4-6-8-20)23-18-30(25(32)33-23)21-11-9-19(15-27)10-12-21/h4-12,22-23H,13-14,16-18H2,1-3H3