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

Systemtic Name: [6-bromanyl-2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(3-ethoxyphenyl)-4-quinolyl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone CAS Name: [6-bromo-2-(3-ethoxyphenyl)-4-quinolinyl]-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (6-bromo-2-m-phenetyl-4-quinolyl)-[4-(4-tert-butylbenzyl)piperazino]methanone Formula: C33H36BrN3O2 MolecularWeight: 586.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=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

CCOC1=CC=CC(=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/C33H36BrN3O2/c1-5-39-27-8-6-7-24(19-27)31-21-29(28-20-26(34)13-14-30(28)35-31)32(38)37-17-15-36(16-18-37)22-23-9-11-25(12-10-23)33(2,3)4/h6-14,19-21H,5,15-18,22H2,1-4H3