[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-[(3-bromophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-[(3-bromophenyl)methyl]piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-[4-[(3-bromophenyl)methyl]piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-[4-[(3-bromophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-butylphenyl)quinolin-4-yl]-[4-[(3-bromophenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-[6-bromo-2-(4-butylphenyl)-4-quinolyl]methanone Formula: C31H31Br2N3O MolecularWeight: 621.40534

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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)CC5=CC(=CC=C5)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C31H31Br2N3O/c1-2-3-5-22-8-10-24(11-9-22)30-20-28(27-19-26(33)12-13-29(27)34-30)31(37)36-16-14-35(15-17-36)21-23-6-4-7-25(32)18-23/h4,6-13,18-20H,2-3,5,14-17,21H2,1H3