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

Systemtic Name: (2S)-2-cyano-N-cyclopropyl-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-cyclopropyl-acetamide CAS Name: (2S)-2-cyano-N-cyclopropyl-2-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-cyclopropylacetamide Traditional Name: (2S)-2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]-2-cyano-N-cyclopropyl-acetamide Formula: C31H30N6O MolecularWeight: 502.6095

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1NC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H30N6O/c32-21-25(31(38)33-24-15-16-24)28-30(35-27-14-8-7-13-26(27)34-28)37-19-17-36(18-20-37)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24-25,29H,15-20H2,(H,33,38)/t25-/m1/s1