[2-(2,5-dimethylphenyl)-3-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylphenyl)-3-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylphenyl)-3-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H27N5O/c1-18-9-10-19(2)22(17-18)25-20(3)24(21-7-4-5-8-23(21)30-25)26(33)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h4-12,17H,13-16H2,1-3H3