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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(5-ethylthiophen-2-yl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(5-ethyl-2-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-bromo-2-(5-ethyl-2-thiophenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(5-ethylthiophen-2-yl)quinolin-4-yl]methanone Traditional Name: [6-bromo-2-(5-ethyl-2-thienyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C28H26BrN3O3S MolecularWeight: 564.49334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26BrN3O3S/c1-2-20-5-8-27(36-20)24-15-22(21-14-19(29)4-6-23(21)30-24)28(33)32-11-9-31(10-12-32)16-18-3-7-25-26(13-18)35-17-34-25/h3-8,13-15H,2,9-12,16-17H2,1H3