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

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-hexyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-hexyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-hexylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-hexylbenzoate Traditional Name: 3-(4-cyanophenyl)-4-hexyl-benzoic acid pyrazin-2-yl ester Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H23N3O2/c1-2-3-4-5-6-19-11-12-21(24(28)29-23-17-26-13-14-27-23)15-22(19)20-9-7-18(16-25)8-10-20/h7-15,17H,2-6H2,1H3