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

Systemtic Name: 2-[[6-[(3R)-3-azanylpiperidin-1-yl]-2-oxidanylidene-3-[(E)-2-pyridin-3-ylethenyl]pyridin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-[(3R)-3-amino-1-piperidyl]-2-oxo-3-[(E)-2-(3-pyridyl)vinyl]-1-pyridyl]methyl]benzonitrile CAS Name: 2-[[6-[(3R)-3-amino-1-piperidinyl]-2-oxo-3-[(E)-2-(3-pyridinyl)ethenyl]-1-pyridinyl]methyl]benzonitrile IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-[(E)-2-pyridin-3-ylethenyl]pyridin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-[(3R)-3-aminopiperidino]-2-keto-3-[(E)-2-(3-pyridyl)vinyl]-1-pyridyl]methyl]benzonitrile Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C(=O)N2CC3=CC=CC=C3C#N)C=CC4=CN=CC=C4)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=CC=C(C(=O)N2CC3=CC=CC=C3C#N)/C=C/C4=CN=CC=C4)N

InChI

InChI=1S/C25H25N5O/c26-15-21-6-1-2-7-22(21)17-30-24(29-14-4-8-23(27)18-29)12-11-20(25(30)31)10-9-19-5-3-13-28-16-19/h1-3,5-7,9-13,16,23H,4,8,14,17-18,27H2/b10-9+/t23-/m1/s1