[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3,4-dimethoxyphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC

InChI

InChI=1S/C26H25N5O3/c1-33-23-9-8-18(16-24(23)34-2)22-17-20(19-6-3-4-7-21(19)29-22)25(32)30-12-14-31(15-13-30)26-27-10-5-11-28-26/h3-11,16-17H,12-15H2,1-2H3