6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]-4-methyl-piperidino]nicotinonitrile Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NC=C(C=C2)C#N)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCN(CC1)C2=NC=C(C=C2)C#N)NCC(=O)N3[C@H](CC[C@H]3C#N)C#C

InChI

InChI=1S/C21H24N6O/c1-3-17-5-6-18(13-23)27(17)20(28)15-25-21(2)8-10-26(11-9-21)19-7-4-16(12-22)14-24-19/h1,4,7,14,17-18,25H,5-6,8-11,15H2,2H3/t17-,18-/m0/s1