(5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methylpyridin-2-yl)piperidin-4-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methylpyridin-2-yl)piperidin-4-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methyl-2-pyridyl)-4-piperidyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methyl-2-pyridinyl)-4-piperidinyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methylpyridin-2-yl)piperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (5S)-5-ethynyl-1-[2-[[4-methyl-1-(4-methyl-2-pyridyl)-4-piperidyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCC(CC2)(C)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1=CC(=NC=C1)N2CCC(CC2)(C)NCC(=O)N3[C@@H](CCC3C#N)C#C

InChI

InChI=1S/C21H27N5O/c1-4-17-5-6-18(14-22)26(17)20(27)15-24-21(3)8-11-25(12-9-21)19-13-16(2)7-10-23-19/h1,7,10,13,17-18,24H,5-6,8-9,11-12,15H2,2-3H3/t17-,18?/m1/s1