2-[[6-(3-azanylpiperidin-1-yl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3-azanylpiperidin-1-yl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3-amino-1-piperidyl)-4-oxo-2-phenyl-1H-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-amino-1-piperidinyl)-4-oxo-2-phenyl-1H-pyrimidin-5-yl]methyl]benzonitrile IUPAC Name: 2-[[6-(3-aminopiperidin-1-yl)-4-oxo-2-phenyl-1H-pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3-aminopiperidino)-4-keto-2-phenyl-1H-pyrimidin-5-yl]methyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4C#N)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4C#N)N

InChI

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