[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-[4-(4-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-[4-(4-fluorophenyl)piperazino]methanone Formula: C30H29BrFN3O MolecularWeight: 546.473163

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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=CC=C(C=C5)F

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=CC=C(C=C5)F

InChI

InChI=1S/C30H29BrFN3O/c1-30(2,3)21-6-4-20(5-7-21)28-19-26(25-18-22(31)8-13-27(25)33-28)29(36)35-16-14-34(15-17-35)24-11-9-23(32)10-12-24/h4-13,18-19H,14-17H2,1-3H3