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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-fluoranyl-2-methyl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-fluoro-2-methyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-fluoro-2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone Traditional Name: (6-fluoro-2-methyl-4-quinolyl)-(4-piperonylpiperazino)methanone Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22FN3O3/c1-15-10-19(18-12-17(24)3-4-20(18)25-15)23(28)27-8-6-26(7-9-27)13-16-2-5-21-22(11-16)30-14-29-21/h2-5,10-12H,6-9,13-14H2,1H3