7-[(3Z)-3-(1-azanylpropan-2-ylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3Z)-3-(1-azanylpropan-2-ylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3Z)-3-(2-amino-1-methyl-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3Z)-3-(1-aminopropan-2-ylidene)-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3Z)-3-(1-aminopropan-2-ylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3Z)-3-(2-amino-1-methyl-ethylidene)piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

Isomeric SMILES

C/C(=C/1\CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)/CN

InChI

InChI=1S/C22H26FN3O4/c1-12(9-24)13-4-3-7-25(10-13)19-17(23)8-15-18(21(19)30-2)26(14-5-6-14)11-16(20(15)27)22(28)29/h8,11,14H,3-7,9-10,24H2,1-2H3,(H,28,29)/b13-12-