[7-fluoranyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [7-fluoranyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [7-fluoro-2-(1H-pyrazol-4-yl)-4-quinolyl]-(4-isopropyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [7-fluoro-2-(1H-pyrazol-4-yl)-4-quinolinyl]-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [7-fluoro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [7-fluoro-2-(1H-pyrazol-4-yl)-4-quinolyl]-(4-isopropyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CNN=C4

Isomeric SMILES

CC(C)[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CNN=C4

InChI

InChI=1S/C21H24FN5O/c1-14(2)26-6-3-7-27(9-8-26)21(28)18-11-19(15-12-23-24-13-15)25-20-10-16(22)4-5-17(18)20/h4-5,10-14H,3,6-9H2,1-2H3,(H,23,24)/p+1