[2-(3-bromophenyl)-6-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-bromophenyl)-6-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-bromophenyl)-6-methyl-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3-bromophenyl)-6-methyl-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3-bromophenyl)-6-methyl-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H22BrN5O MolecularWeight: 488.37908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H22BrN5O/c1-17-6-7-22-20(14-17)21(16-23(29-22)18-4-2-5-19(26)15-18)24(32)30-10-12-31(13-11-30)25-27-8-3-9-28-25/h2-9,14-16H,10-13H2,1H3