6-tert-butyl-4-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C33H37N3O3 MolecularWeight: 523.66518

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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)CC=CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C33H37N3O3/c1-33(2,3)28-14-15-30-29(22-28)36(31(37)24-39-30)23-26-11-7-13-27(21-26)32(38)35-19-17-34(18-20-35)16-8-12-25-9-5-4-6-10-25/h4-15,21-22H,16-20,23-24H2,1-3H3/b12-8+