N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-4-methyl-benzamide

Systemtic Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-4-methyl-benzamide Openeye Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-4-methyl-benzamide CAS Name: N-[3-[[4-[4-(1-imidazolyl)phenyl]-2-pyrimidinyl]amino]phenyl]-4-methylbenzamide IUPAC Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-4-methylbenzamide Traditional Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-4-methyl-benzamide Formula: C27H22N6O MolecularWeight: 446.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H22N6O/c1-19-5-7-21(8-6-19)26(34)30-22-3-2-4-23(17-22)31-27-29-14-13-25(32-27)20-9-11-24(12-10-20)33-16-15-28-18-33/h2-18H,1H3,(H,30,34)(H,29,31,32)