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

Systemtic Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-cyclohexyl]oxypyridine-3-carbonitrile Openeye Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-cyclohexoxy]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methylcyclohexyl]oxy-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylcyclohexyl]oxypyridine-3-carbonitrile Traditional Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]-4-methyl-cyclohexoxy]nicotinonitrile Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC2=NC=C(C=C2)C#N)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCC(CC1)OC2=NC=C(C=C2)C#N)NCC(=O)N3[C@@H](CC[C@H]3C#N)C#C

InChI

InChI=1S/C22H25N5O2/c1-3-17-5-6-18(13-24)27(17)21(28)15-26-22(2)10-8-19(9-11-22)29-20-7-4-16(12-23)14-25-20/h1,4,7,14,17-19,26H,5-6,8-11,15H2,2H3/t17-,18+,19?,22?/m1/s1