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

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-butylphenyl)quinolin-4-yl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-[4-(4-tert-butylbenzyl)piperazino]methanone Formula: C35H40BrN3O MolecularWeight: 598.6156

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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=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C35H40BrN3O/c1-5-6-7-25-8-12-27(13-9-25)33-23-31(30-22-29(36)16-17-32(30)37-33)34(40)39-20-18-38(19-21-39)24-26-10-14-28(15-11-26)35(2,3)4/h8-17,22-23H,5-7,18-21,24H2,1-4H3