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

Systemtic Name: ethyl 1-[3-[2-(benzotriazol-1-yl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H20N6O3/c1-3-30-21(29)17-12-22-27(14(17)2)16-8-6-7-15(11-16)23-20(28)13-26-19-10-5-4-9-18(19)24-25-26/h4-12H,3,13H2,1-2H3,(H,23,28)