[6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-isopropylphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (6-bromo-2-p-cumenyl-4-quinolyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C27H26BrN5O MolecularWeight: 516.43224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H26BrN5O/c1-18(2)19-4-6-20(7-5-19)25-17-23(22-16-21(28)8-9-24(22)31-25)26(34)32-12-14-33(15-13-32)27-29-10-3-11-30-27/h3-11,16-18H,12-15H2,1-2H3