1-cyclopropyl-6-fluoranyl-5-methyl-7-piperazin-1-yl-4H-cinnoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-7-piperazin-1-yl-4H-cinnoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-7-piperazin-1-yl-4H-cinnoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(1-piperazinyl)-4H-cinnoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-piperazin-1-yl-4H-cinnoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-5-methyl-7-piperazino-4H-cinnoline-3-carboxylic acid Formula: C17H21FN4O2 MolecularWeight: 332.372643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(=NN(C2=CC(=C1F)N3CCNCC3)C4CC4)C(=O)O

Isomeric SMILES

CC1=C2CC(=NN(C2=CC(=C1F)N3CCNCC3)C4CC4)C(=O)O

InChI

InChI=1S/C17H21FN4O2/c1-10-12-8-13(17(23)24)20-22(11-2-3-11)14(12)9-15(16(10)18)21-6-4-19-5-7-21/h9,11,19H,2-8H2,1H3,(H,23,24)