2-[[6-[(3R)-3-azanylpiperidin-1-yl]-2-oxidanylidene-3-prop-1-ynyl-pyridin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-[(3R)-3-azanylpiperidin-1-yl]-2-oxidanylidene-3-prop-1-ynyl-pyridin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-[(3R)-3-amino-1-piperidyl]-2-oxo-3-prop-1-ynyl-1-pyridyl]methyl]benzonitrile CAS Name: 2-[[6-[(3R)-3-amino-1-piperidinyl]-2-oxo-3-prop-1-ynyl-1-pyridinyl]methyl]benzonitrile IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-prop-1-ynylpyridin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-[(3R)-3-aminopiperidino]-2-keto-3-prop-1-ynyl-1-pyridyl]methyl]benzonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

Isomeric SMILES

CC#CC1=CC=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N

InChI

InChI=1S/C21H22N4O/c1-2-6-16-10-11-20(24-12-5-9-19(23)15-24)25(21(16)26)14-18-8-4-3-7-17(18)13-22/h3-4,7-8,10-11,19H,5,9,12,14-15,23H2,1H3/t19-/m1/s1