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

Systemtic Name: (2R)-4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Openeye Name: (2R)-4-[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione CAS Name: (2R)-4-[2-(5-methyl-1-phenyl-4-pyrazolyl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione IUPAC Name: (2R)-4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Traditional Name: (2R)-4-[2-keto-2-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-2-propyl-1,4-benzoxazepine-3,5-quinone Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC[C@@H]1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O4/c1-3-9-22-24(30)26(23(29)18-12-7-8-13-21(18)31-22)15-20(28)19-14-25-27(16(19)2)17-10-5-4-6-11-17/h4-8,10-14,22H,3,9,15H2,1-2H3/t22-/m1/s1