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

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-pentyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-pentylbenzoate Traditional Name: 4-amyl-3-(4-cyanophenyl)benzoic acid pyrazin-2-yl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O2/c1-2-3-4-5-18-10-11-20(23(27)28-22-16-25-12-13-26-22)14-21(18)19-8-6-17(15-24)7-9-19/h6-14,16H,2-5H2,1H3