[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone Traditional Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C32H32BrN3O3 MolecularWeight: 586.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H32BrN3O3/c1-32(2,3)23-7-5-22(6-8-23)28-18-26(25-17-24(33)9-10-27(25)34-28)31(37)36-14-12-35(13-15-36)19-21-4-11-29-30(16-21)39-20-38-29/h4-11,16-18H,12-15,19-20H2,1-3H3