6-tert-butyl-4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-acetylpiperazine-1-carbonyl)benzyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-18(30)27-10-12-28(13-11-27)25(32)20-7-5-6-19(14-20)16-29-22-15-21(26(2,3)4)8-9-23(22)33-17-24(29)31/h5-9,14-15H,10-13,16-17H2,1-4H3