tert-butyl 4-[4-[(1-oxidanylpyridin-4-ylidene)carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(1-oxidanylpyridin-4-ylidene)carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(1-hydroxy-4-pyridylidene)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(1-hydroxy-4-pyridinylidene)amino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-hydroxypyridin-4-ylidene)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(1-hydroxy-4-pyridylidene)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)N=C3C=CN(C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)N=C3C=CN(C=C3)O

InChI

InChI=1S/C21H26N4O4/c1-21(2,3)29-20(27)24-14-12-23(13-15-24)18-6-4-16(5-7-18)19(26)22-17-8-10-25(28)11-9-17/h4-11,28H,12-15H2,1-3H3