[6-fluoranyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [6-fluoranyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [6-fluoro-2-(1-isopropylpyrazol-4-yl)-4-quinolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [6-fluoro-2-(1-propan-2-yl-4-pyrazolyl)-4-quinolinyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [6-fluoro-2-(1-isopropylpyrazol-4-yl)-4-quinolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N4CCC[NH+](CC4)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N4CCC[NH+](CC4)C

InChI

InChI=1S/C22H26FN5O/c1-15(2)28-14-16(13-24-28)21-12-19(18-11-17(23)5-6-20(18)25-21)22(29)27-8-4-7-26(3)9-10-27/h5-6,11-15H,4,7-10H2,1-3H3/p+1