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

Systemtic Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-3-carbonitrile CAS Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-[(5S)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[2-[(5S)-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=C(C=CC=N2)C#N)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCN(CC1)C2=C(C=CC=N2)C#N)NCC(=O)N3[C@@H](CCC3C#N)C#C

InChI

InChI=1S/C21H24N6O/c1-3-17-6-7-18(14-23)27(17)19(28)15-25-21(2)8-11-26(12-9-21)20-16(13-22)5-4-10-24-20/h1,4-5,10,17-18,25H,6-9,11-12,15H2,2H3/t17-,18?/m1/s1