ethyl 4-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(=O)C

InChI

InChI=1S/C21H27N3O6/c1-3-29-21(28)23-11-9-22(10-12-23)19(26)5-4-8-24-17-13-16(15(2)25)6-7-18(17)30-14-20(24)27/h6-7,13H,3-5,8-12,14H2,1-2H3