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

Systemtic Name: 4-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Openeye Name: 6-(1,1-dimethylpropyl)-4-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-[(4-ethyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[3-(4-ethylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-5-27(3,4)22-10-11-24-23(17-22)30(25(31)19-33-24)18-20-8-7-9-21(16-20)26(32)29-14-12-28(6-2)13-15-29/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3