[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=NC=CN=C4N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=NC=CN=C4N

InChI

InChI=1S/C21H19N5O4/c1-13-4-6-14(7-5-13)15-11-16(17-3-2-10-29-17)26(25-15)18(27)12-30-21(28)19-20(22)24-9-8-23-19/h2-10,16H,11-12H2,1H3,(H2,22,24)