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

Systemtic Name: 2-methyl-4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 2-methyl-4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 2-methyl-4-[2-(5-methyl-1-phenyl-4-pyrazolyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 2-methyl-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]-2-methyl-1,4-benzoxazepine-3,5-quinone Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N3O4/c1-14-18(12-23-25(14)16-8-4-3-5-9-16)19(26)13-24-21(27)15(2)29-20-11-7-6-10-17(20)22(24)28/h3-12,15H,13H2,1-2H3