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

Systemtic Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide CAS Name: N-[3-[[4-[4-(1-imidazolyl)phenyl]-2-pyrimidinyl]amino]phenyl]-2-methoxybenzamide IUPAC Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-2-methoxybenzamide Traditional Name: N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide Formula: C27H22N6O2 MolecularWeight: 462.50258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H22N6O2/c1-35-25-8-3-2-7-23(25)26(34)30-20-5-4-6-21(17-20)31-27-29-14-13-24(32-27)19-9-11-22(12-10-19)33-16-15-28-18-33/h2-18H,1H3,(H,30,34)(H,29,31,32)