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

Systemtic Name: 6-ethanoyl-4-[4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[4-[4-[(E)-cinnamyl]piperazin-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[4-[4-[(E)-cinnamyl]piperazino]-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-21(31)23-11-12-25-24(19-23)30(27(33)20-34-25)14-6-10-26(32)29-17-15-28(16-18-29)13-5-9-22-7-3-2-4-8-22/h2-5,7-9,11-12,19H,6,10,13-18,20H2,1H3/b9-5+