2-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-4-carboxylic acid Openeye Name: 2-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-4-carboxylic acid CAS Name: 2-[4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid Traditional Name: 2-[4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-4-methyl-piperidino]isonicotinic acid Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NC=CC(=C2)C(=O)O)NCC(=O)N3CCCC3C#N

Isomeric SMILES

CC1(CCN(CC1)C2=NC=CC(=C2)C(=O)O)NCC(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C19H25N5O3/c1-19(22-13-17(25)24-8-2-3-15(24)12-20)5-9-23(10-6-19)16-11-14(18(26)27)4-7-21-16/h4,7,11,15,22H,2-3,5-6,8-10,13H2,1H3,(H,26,27)/t15-/m0/s1