5-azanyl-7-[(3S,4R)-3-azanyl-4-(4-dimethylaminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[(3S,4R)-3-azanyl-4-(4-dimethylaminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S,4R)-3-amino-4-(4-dimethylaminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3S,4R)-3-amino-4-(4-dimethylaminophenyl)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3S,4R)-3-amino-4-(4-dimethylaminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S,4R)-3-amino-4-(4-dimethylaminophenyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H27F2N5O3 MolecularWeight: 483.510386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CN(CC2N)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2CN(C[C@H]2N)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

InChI

InChI=1S/C25H27F2N5O3/c1-30(2)13-5-3-12(4-6-13)15-9-31(11-17(15)28)23-19(26)21(29)18-22(20(23)27)32(14-7-8-14)10-16(24(18)33)25(34)35/h3-6,10,14-15,17H,7-9,11,28-29H2,1-2H3,(H,34,35)/t15-,17+/m0/s1