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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(2-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(2-fluorophenyl)-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(2-fluorophenyl)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-(2-fluorophenyl)-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C23H22FN5O MolecularWeight: 403.452083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C4=CC=CC=C4F)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C4=CC=CC=C4F)N

InChI

InChI=1S/C23H22FN5O/c24-21-10-4-3-9-19(21)20-13-27-23(28-11-5-8-18(26)15-28)29(22(20)30)14-17-7-2-1-6-16(17)12-25/h1-4,6-7,9-10,13,18H,5,8,11,14-15,26H2/t18-/m1/s1