[3-[(2,5-dimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluoranylbenzoate

Systemtic Name: [3-[(2,5-dimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluoranylbenzoate Openeye Name: [3-[(2,5-dimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [3-[(2,5-dimethylanilino)-oxomethyl]-2-pyrazinyl]methyl ester IUPAC Name: [3-[(2,5-dimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [3-[(2,5-dimethylphenyl)carbamoyl]pyrazin-2-yl]methyl ester Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H18FN3O3/c1-13-6-7-14(2)17(10-13)25-20(26)19-18(23-8-9-24-19)12-28-21(27)15-4-3-5-16(22)11-15/h3-11H,12H2,1-2H3,(H,25,26)