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

Systemtic Name: (6-bromanyl-2-phenyl-quinolin-4-yl)-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (6-bromo-2-phenyl-4-quinolyl)-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone CAS Name: (6-bromo-2-phenyl-4-quinolinyl)-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-phenylquinolin-4-yl)-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (6-bromo-2-phenyl-4-quinolyl)-[4-(4-tert-butylbenzyl)piperazino]methanone Formula: C31H32BrN3O MolecularWeight: 542.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H32BrN3O/c1-31(2,3)24-11-9-22(10-12-24)21-34-15-17-35(18-16-34)30(36)27-20-29(23-7-5-4-6-8-23)33-28-14-13-25(32)19-26(27)28/h4-14,19-20H,15-18,21H2,1-3H3