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

Systemtic Name: 6-ethanoyl-4-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[[3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[[3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC(=O)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/C31H31N3O4/c1-23(35)26-12-13-29-28(20-26)34(30(36)22-38-29)21-25-9-5-11-27(19-25)31(37)33-17-15-32(16-18-33)14-6-10-24-7-3-2-4-8-24/h2-13,19-20H,14-18,21-22H2,1H3/b10-6+