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

Systemtic Name: 6-(2-methylbutan-2-yl)-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(1,1-dimethylpropyl)-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(2-methylbutan-2-yl)-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(2-methylbutan-2-yl)-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O5/c1-4-25(2,3)18-5-10-22-21(15-18)28(24(31)17-34-22)16-23(30)27-13-11-26(12-14-27)19-6-8-20(9-7-19)29(32)33/h5-10,15H,4,11-14,16-17H2,1-3H3