(2S,5S)-5-ethynyl-1-[2-[(2-methyl-1-quinolin-4-yl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-[(2-methyl-1-quinolin-4-yl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-1-[2-[[1,1-dimethyl-2-(4-quinolyl)ethyl]amino]acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[2-[[2-methyl-1-(4-quinolinyl)propan-2-yl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-[(2-methyl-1-quinolin-4-ylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-1-[2-[[1,1-dimethyl-2-(4-quinolyl)ethyl]amino]acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=NC2=CC=CC=C12)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC(C)(CC1=CC=NC2=CC=CC=C12)NCC(=O)N3[C@@H](CC[C@H]3C#N)C#C

InChI

InChI=1S/C22H24N4O/c1-4-17-9-10-18(14-23)26(17)21(27)15-25-22(2,3)13-16-11-12-24-20-8-6-5-7-19(16)20/h1,5-8,11-12,17-18,25H,9-10,13,15H2,2-3H3/t17-,18+/m1/s1