[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H20N4O3/c1-19(2)14-6-4-12(5-7-14)8-17-15(21)11-23-16(22)13-9-18-20(3)10-13/h4-7,9-10H,8,11H2,1-3H3,(H,17,21)