2-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one

Systemtic Name: 2-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one Openeye Name: 2-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one CAS Name: 2-(1-cyclohexa-1,3-dienylmethyl)-4-methyl-7-[(E)-1-oxo-3-phenylprop-2-enyl]-1,4-benzoxazin-3-one IUPAC Name: 2-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one Traditional Name: 2-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-7-[(E)-3-phenylacryloyl]-1,4-benzoxazin-3-one Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)C=CC3=CC=CC=C3)OC(C1=O)CC4=CC=CCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)OC(C1=O)CC4=CC=CCC4

InChI

InChI=1S/C25H23NO3/c1-26-21-14-13-20(22(27)15-12-18-8-4-2-5-9-18)17-23(21)29-24(25(26)28)16-19-10-6-3-7-11-19/h2-6,8-10,12-15,17,24H,7,11,16H2,1H3/b15-12+