[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C28H28BrN5O MolecularWeight: 530.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C28H28BrN5O/c1-28(2,3)20-7-5-19(6-8-20)25-18-23(22-17-21(29)9-10-24(22)32-25)26(35)33-13-15-34(16-14-33)27-30-11-4-12-31-27/h4-12,17-18H,13-16H2,1-3H3