methyl 2-cyano-2-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(3-thienylmethyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(3-thenyl)piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H21N5O2S/c1-28-21(27)16(12-22)19-20(24-18-5-3-2-4-17(18)23-19)26-9-7-25(8-10-26)13-15-6-11-29-14-15/h2-6,11,14,16H,7-10,13H2,1H3