4-[2-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43)C

InChI

InChI=1S/C22H27N5O4/c1-22(2,3)18-12-16(24(4)23-18)21(30)27-11-7-10-26(27)19(28)13-25-15-8-5-6-9-17(15)31-14-20(25)29/h5-6,8-9,12H,7,10-11,13-14H2,1-4H3