pyrazin-2-yl 3-(4-cyanophenyl)-4-propyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-propyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-propylbenzoate Traditional Name: 3-(4-cyanophenyl)-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O2/c1-2-3-16-8-9-18(21(25)26-20-14-23-10-11-24-20)12-19(16)17-6-4-15(13-22)5-7-17/h4-12,14H,2-3H2,1H3