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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-fluoro-2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-fluoro-2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [6-fluoro-2-(2-thienyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)F)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)F)C6=CC=CS6

InChI

InChI=1S/C26H22FN3O3S/c27-18-4-5-21-19(13-18)20(14-22(28-21)25-2-1-11-34-25)26(31)30-9-7-29(8-10-30)15-17-3-6-23-24(12-17)33-16-32-23/h1-6,11-14H,7-10,15-16H2