N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide Openeye Name: N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide CAS Name: N-[4-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide Traditional Name: N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]quinaldamide Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H21N5O2/c1-34-25-9-5-3-7-21(25)24-16-26(29-17-28-24)30-19-11-13-20(14-12-19)31-27(33)23-15-10-18-6-2-4-8-22(18)32-23/h2-17H,1H3,(H,31,33)(H,28,29,30)