N-methyl-4-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: N-methyl-4-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide Openeye Name: N-methyl-4-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide CAS Name: N-methyl-4-[[3-methyl-5-[[4-(2-phenyl-3-pyrazolyl)-2-pyrimidinyl]amino]phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-methyl-4-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide Traditional Name: N-methyl-4-[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzyl]piperazine-1-carboxamide Formula: C27H30N8O MolecularWeight: 482.5801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCN(CC5)C(=O)NC

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCN(CC5)C(=O)NC

InChI

InChI=1S/C27H30N8O/c1-20-16-21(19-33-12-14-34(15-13-33)27(36)28-2)18-22(17-20)31-26-29-10-8-24(32-26)25-9-11-30-35(25)23-6-4-3-5-7-23/h3-11,16-18H,12-15,19H2,1-2H3,(H,28,36)(H,29,31,32)