(2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazino]quinoxalin-2-yl]acetamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H30N6O2/c1-3-4-13-28-26(33)19(18-27)24-25(30-21-10-6-5-9-20(21)29-24)32-16-14-31(15-17-32)22-11-7-8-12-23(22)34-2/h5-12,19H,3-4,13-17H2,1-2H3,(H,28,33)/t19-/m1/s1