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

Systemtic Name: [6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-butylphenyl)-4-quinolinyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-butylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-2-(4-butylphenyl)-4-quinolyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C31H32BrN3O2 MolecularWeight: 558.50868

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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=CC=C5OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C31H32BrN3O2/c1-3-4-7-22-10-12-23(13-11-22)28-21-26(25-20-24(32)14-15-27(25)33-28)31(36)35-18-16-34(17-19-35)29-8-5-6-9-30(29)37-2/h5-6,8-15,20-21H,3-4,7,16-19H2,1-2H3