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

Systemtic Name: (6-bromanyl-2-phenyl-quinolin-4-yl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (6-bromo-2-phenyl-4-quinolyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone CAS Name: (6-bromo-2-phenyl-4-quinolinyl)-[4-[(4-ethylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-phenylquinolin-4-yl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (6-bromo-2-phenyl-4-quinolyl)-[4-(4-ethylbenzyl)piperazino]methanone Formula: C29H28BrN3O MolecularWeight: 514.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H28BrN3O/c1-2-21-8-10-22(11-9-21)20-32-14-16-33(17-15-32)29(34)26-19-28(23-6-4-3-5-7-23)31-27-13-12-24(30)18-25(26)27/h3-13,18-19H,2,14-17,20H2,1H3