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

Systemtic Name: 4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-6-(1,1-dimethylpropyl)-1,4-benzoxazin-3-one CAS Name: 4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-acetylpiperazino)-2-keto-ethyl]-6-tert-amyl-1,4-benzoxazin-3-one Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H29N3O4/c1-5-21(3,4)16-6-7-18-17(12-16)24(20(27)14-28-18)13-19(26)23-10-8-22(9-11-23)15(2)25/h6-7,12H,5,8-11,13-14H2,1-4H3