[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H20N4O3/c1-13-10-14(2)22(21-13)9-3-8-20-17(23)12-25-18(24)16-6-4-15(11-19)5-7-16/h4-7,10H,3,8-9,12H2,1-2H3,(H,20,23)