7-[4-(aminomethyl)piperidin-1-yl]-6,8-bis(fluoranyl)-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(aminomethyl)piperidin-1-yl]-6,8-bis(fluoranyl)-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-[4-(aminomethyl)-1-piperidyl]-6,8-difluoro-1-isopropyl-2-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-piperidinyl]-6,8-difluoro-2-oxo-1-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(aminomethyl)piperidin-1-yl]-6,8-difluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 7-[4-(aminomethyl)piperidino]-6,8-difluoro-1-isopropyl-2-keto-quinoline-3-carboxylic acid Formula: C19H23F2N3O3 MolecularWeight: 379.401026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=C(C=C2C=C(C1=O)C(=O)O)F)N3CCC(CC3)CN)F

Isomeric SMILES

CC(C)N1C2=C(C(=C(C=C2C=C(C1=O)C(=O)O)F)N3CCC(CC3)CN)F

InChI

InChI=1S/C19H23F2N3O3/c1-10(2)24-16-12(7-13(18(24)25)19(26)27)8-14(20)17(15(16)21)23-5-3-11(9-22)4-6-23/h7-8,10-11H,3-6,9,22H2,1-2H3,(H,26,27)