[4-(1-adamantylcarbonyl)piperazin-1-yl]-(7-fluoranyl-2-methyl-quinolin-4-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(7-fluoranyl-2-methyl-quinolin-4-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methyl-4-quinolyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(7-fluoro-2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(7-fluoro-2-methyl-4-quinolyl)methanone Formula: C26H30FN3O2 MolecularWeight: 435.533703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30FN3O2/c1-16-8-22(21-3-2-20(27)12-23(21)28-16)24(31)29-4-6-30(7-5-29)25(32)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-3,8,12,17-19H,4-7,9-11,13-15H2,1H3