[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H22FN3O3/c28-21-6-2-4-8-24(21)30-11-13-31(14-12-30)27(32)20-16-23(29-22-7-3-1-5-19(20)22)18-9-10-25-26(15-18)34-17-33-25/h1-10,15-16H,11-14,17H2