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

Systemtic Name: 6-tert-butyl-4-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H32N4O5/c1-30(2,3)23-7-12-27-26(18-23)33(28(35)20-39-27)19-21-5-4-6-22(17-21)29(36)32-15-13-31(14-16-32)24-8-10-25(11-9-24)34(37)38/h4-12,17-18H,13-16,19-20H2,1-3H3