heptyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazino]quinoxalin-2-yl]acetic acid heptyl ester Formula: C30H37N5O2 MolecularWeight: 499.64708

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(=C4C)C

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C30H37N5O2/c1-4-5-6-7-10-20-37-30(36)24(21-31)28-29(33-26-14-9-8-13-25(26)32-28)35-18-16-34(17-19-35)27-15-11-12-22(2)23(27)3/h8-9,11-15,24H,4-7,10,16-20H2,1-3H3