7-(butylaminomethyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride Openeye Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid hydrochloride CAS Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid hydrochloride Traditional Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid hydrochloride Formula: C18H21ClF2N2O3 MolecularWeight: 386.820746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)O)C3CC3)F.Cl

Isomeric SMILES

CCCCNCC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)O)C3CC3)F.Cl

InChI

InChI=1S/C18H20F2N2O3.ClH/c1-2-3-6-21-8-12-14(19)7-11-16(15(12)20)22(10-4-5-10)9-13(17(11)23)18(24)25;/h7,9-10,21H,2-6,8H2,1H3,(H,24,25);1H