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

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-6,8-difluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CN)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

C1CN(CC1CN)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H19F2N3O3/c22-16-8-14-18(17(23)19(16)25-7-6-12(9-24)10-25)26(13-4-2-1-3-5-13)11-15(20(14)27)21(28)29/h1-5,8,11-12H,6-7,9-10,24H2,(H,28,29)