tert-butyl 4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-keto-4H-1,4-benzoxazine-7-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-8-6-20(7-9-21)16(23)12-4-5-13-14(10-12)25-11-15(22)19-13/h4-5,10H,6-9,11H2,1-3H3,(H,19,22)