ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 5-[(2-acetamidoethylamino)methyl]-1-(4-methylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 5-[(2-acetamidoethylamino)methyl]-1-(p-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)CNCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)CNCCNC(=O)C

InChI

InChI=1S/C18H24N4O3/c1-4-25-18(24)16-11-21-22(15-7-5-13(2)6-8-15)17(16)12-19-9-10-20-14(3)23/h5-8,11,19H,4,9-10,12H2,1-3H3,(H,20,23)