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(2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enyl-ethanamide
(2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enyl-ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3
Isomeric SMILES
C=CCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3
InChI
InChI=1S/C20H23N5O/c1-2-11-22-20(26)15(14-21)18-19(25-12-7-3-4-8-13-25)24-17-10-6-5-9-16(17)23-18/h2,5-6,9-10,15H,1,3-4,7-8,11-13H2,(H,22,26)/t15-/m1/s1
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