ethyl 1-[3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(2-indoxazen-3-ylacetyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CC3=NOC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CC3=NOC4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O4/c1-3-29-22(28)18-13-23-26(14(18)2)16-8-6-7-15(11-16)24-21(27)12-19-17-9-4-5-10-20(17)30-25-19/h4-11,13H,3,12H2,1-2H3,(H,24,27)