3-[[4-(2-phenylpiperidin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-phenylpiperidin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(2-phenyl-1-piperidyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(2-phenyl-1-piperidinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(2-phenylpiperidin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(2-phenylpiperidino)pyrimidin-2-yl]amino]benzonitrile Formula: C22H21N5 MolecularWeight: 355.43564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C(C1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N5/c23-16-17-7-6-10-19(15-17)25-22-24-13-12-21(26-22)27-14-5-4-11-20(27)18-8-2-1-3-9-18/h1-3,6-10,12-13,15,20H,4-5,11,14H2,(H,24,25,26)