(4-phenylpiperidin-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: (4-phenylpiperidin-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: (4-phenyl-1-piperidyl)-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: (4-phenyl-1-piperidinyl)-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: (4-phenylpiperidin-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: (4-phenylpiperidino)-[3-(2-pyrimidylamino)phenyl]methanone Formula: C22H22N4O MolecularWeight: 358.43628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H22N4O/c27-21(26-14-10-18(11-15-26)17-6-2-1-3-7-17)19-8-4-9-20(16-19)25-22-23-12-5-13-24-22/h1-9,12-13,16,18H,10-11,14-15H2,(H,23,24,25)