2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-oxo-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxo-4-phenylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O/c24-14-18-9-4-5-10-19(18)15-28-22(29)13-21(17-7-2-1-3-8-17)26-23(28)27-12-6-11-20(25)16-27/h1-5,7-10,13,20H,6,11-12,15-16,25H2/t20-/m1/s1