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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/c1-2-3-4-21-5-7-22(8-6-21)29-20-27(26-19-23(31)9-14-28(26)33-29)30(36)35-17-15-34(16-18-35)25-12-10-24(32)11-13-25/h5-14,19-20H,2-4,15-18H2,1H3