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

Systemtic Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C26H25N5O/c1-18-8-9-20(16-19(18)2)24-17-22(21-6-3-4-7-23(21)29-24)25(32)30-12-14-31(15-13-30)26-27-10-5-11-28-26/h3-11,16-17H,12-15H2,1-2H3