[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C20H18N4O4/c21-9-2-11-23(14-18-4-1-13-27-18)19(25)15-28-20(26)16-5-7-17(8-6-16)24-12-3-10-22-24/h1,3-8,10,12-13H,2,11,14-15H2