4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-(1,1-dimethylpropyl)-1,4-benzoxazin-3-one CAS Name: 4-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-acetylpiperazine-1-carbonyl)benzyl]-6-tert-amyl-1,4-benzoxazin-3-one Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C27H33N3O4/c1-5-27(3,4)22-9-10-24-23(16-22)30(25(32)18-34-24)17-20-7-6-8-21(15-20)26(33)29-13-11-28(12-14-29)19(2)31/h6-10,15-16H,5,11-14,17-18H2,1-4H3