4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(5-methyl-1-phenyl-4-pyrazolyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)CN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O4/c1-14-17(11-22-24(14)15-7-3-2-4-8-15)18(25)12-23-20(26)13-28-19-10-6-5-9-16(19)21(23)27/h2-11H,12-13H2,1H3