[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CCC#N)C

InChI

InChI=1S/C18H20N4O3/c1-13-11-14(2)22(20-13)16-7-5-15(6-8-16)18(24)25-12-17(23)21(3)10-4-9-19/h5-8,11H,4,10,12H2,1-3H3