N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-1-methyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-1-methyl-piperidine-4-carboxamide Openeye Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-1-methyl-piperidine-4-carboxamide CAS Name: N-[3-[[4-(4-acetamidophenyl)-2-pyrimidinyl]amino]phenyl]-1-methyl-4-piperidinecarboxamide IUPAC Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-1-methylpiperidine-4-carboxamide Traditional Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-1-methyl-isonipecotamide Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)C4CCN(CC4)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)C4CCN(CC4)C

InChI

InChI=1S/C25H28N6O2/c1-17(32)27-20-8-6-18(7-9-20)23-10-13-26-25(30-23)29-22-5-3-4-21(16-22)28-24(33)19-11-14-31(2)15-12-19/h3-10,13,16,19H,11-12,14-15H2,1-2H3,(H,27,32)(H,28,33)(H,26,29,30)