heptyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetic acid heptyl ester Formula: C28H33N5O2 MolecularWeight: 471.59392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N5O2/c1-2-3-4-5-11-20-35-28(34)23(21-29)26-27(31-25-15-10-9-14-24(25)30-26)33-18-16-32(17-19-33)22-12-7-6-8-13-22/h6-10,12-15,23H,2-5,11,16-20H2,1H3