2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-5-[(E)-2-pyridin-3-ylethenyl]pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-5-[(E)-2-pyridin-3-ylethenyl]pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-oxo-5-[(E)-2-(3-pyridyl)vinyl]pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-oxo-5-[(E)-2-(3-pyridinyl)ethenyl]-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxo-5-[(E)-2-pyridin-3-ylethenyl]pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-5-[(E)-2-(3-pyridyl)vinyl]pyrimidin-1-yl]methyl]benzonitrile Formula: C24H24N6O MolecularWeight: 412.48696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O/c25-13-19-6-1-2-7-21(19)16-30-23(31)20(10-9-18-5-3-11-27-14-18)15-28-24(30)29-12-4-8-22(26)17-29/h1-3,5-7,9-11,14-15,22H,4,8,12,16-17,26H2/b10-9+/t22-/m1/s1