1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperidin-4-one

Systemtic Name: 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperidin-4-one Openeye Name: 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-one CAS Name: 1-[[4-[[4-(4-chlorophenyl)-2-pyrimidinyl]amino]phenyl]-oxomethyl]-4-piperidinone IUPAC Name: 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-one Traditional Name: 1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]-4-piperidone Formula: C22H19ClN4O2 MolecularWeight: 406.86486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2/c23-17-5-1-15(2-6-17)20-9-12-24-22(26-20)25-18-7-3-16(4-8-18)21(29)27-13-10-19(28)11-14-27/h1-9,12H,10-11,13-14H2,(H,24,25,26)