tert-butyl 4-[1-(3-oxidanylidene-4H-quinoxalin-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3-oxidanylidene-4H-quinoxalin-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-oxo-4H-quinoxalin-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(3-oxo-4H-quinoxalin-2-yl)-4-piperidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-oxo-4H-quinoxalin-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-keto-4H-quinoxalin-2-yl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H31N5O4/c1-23(2,3)32-22(31)28-14-12-27(13-15-28)21(30)16-8-10-26(11-9-16)19-20(29)25-18-7-5-4-6-17(18)24-19/h4-7,16H,8-15H2,1-3H3,(H,25,29)