tert-butyl 4-[3-chloranyl-5-[(7-methoxy-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-chloranyl-5-[(7-methoxy-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-chloro-5-[(7-methoxy-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-chloro-5-[(7-methoxy-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-chloro-5-[(7-methoxy-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-chloro-5-[(3-keto-7-methoxy-1,4-benzoxazin-4-yl)methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O5/c1-25(2,3)34-24(31)28-9-7-27(8-10-28)19-12-17(11-18(26)13-19)15-29-21-6-5-20(32-4)14-22(21)33-16-23(29)30/h5-6,11-14H,7-10,15-16H2,1-4H3