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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N6O/c1-2-17-33-31(38)25(22-32)28-30(35-27-16-10-9-15-26(27)34-28)37-20-18-36(19-21-37)29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h2-16,25,29H,1,17-21H2,(H,33,38)/t25-/m1/s1