N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acetamide Formula: C27H25N7O3 MolecularWeight: 495.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H25N7O3/c1-18-15-24(32-11-13-33(14-12-32)26-28-9-4-10-29-26)31-21-8-7-19(16-20(18)21)30-25(35)17-34-22-5-2-3-6-23(22)37-27(34)36/h2-10,15-16H,11-14,17H2,1H3,(H,30,35)