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

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-heptyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-heptyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-heptylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-heptylbenzoate Traditional Name: 3-(4-cyanophenyl)-4-heptyl-benzoic acid pyrazin-2-yl ester Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H25N3O2/c1-2-3-4-5-6-7-20-12-13-22(25(29)30-24-18-27-14-15-28-24)16-23(20)21-10-8-19(17-26)9-11-21/h8-16,18H,2-7H2,1H3