ethyl 4-[3-[(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(6-acetyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)C

InChI

InChI=1S/C25H27N3O6/c1-3-33-25(32)27-11-9-26(10-12-27)24(31)20-6-4-5-18(13-20)15-28-21-14-19(17(2)29)7-8-22(21)34-16-23(28)30/h4-8,13-14H,3,9-12,15-16H2,1-2H3