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

Systemtic Name: [2-(3-ethoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-ethoxyphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3-ethoxyphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-ethoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-m-phenetyl-4-quinolyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H25N5O2/c1-2-33-20-8-5-7-19(17-20)24-18-22(21-9-3-4-10-23(21)29-24)25(32)30-13-15-31(16-14-30)26-27-11-6-12-28-26/h3-12,17-18H,2,13-16H2,1H3