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

Systemtic Name: 5-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 5-[4-[[2-[(5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-3-carbonitrile CAS Name: 5-[4-[[2-[(5S)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 5-[4-[[2-[(5S)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 5-[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=CN=CC(=C2)C#N)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

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

InChI

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