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

Systemtic Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]piperidino]nicotinonitrile Formula: C20H22N6O MolecularWeight: 362.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCN(CC2)C3=C(C=CC=N3)C#N)C#N

Isomeric SMILES

C#C[C@@H]1CCC(N1C(=O)CNC2CCN(CC2)C3=C(C=CC=N3)C#N)C#N

InChI

InChI=1S/C20H22N6O/c1-2-17-5-6-18(13-22)26(17)19(27)14-24-16-7-10-25(11-8-16)20-15(12-21)4-3-9-23-20/h1,3-4,9,16-18,24H,5-8,10-11,14H2/t17-,18?/m1/s1