5-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazino]-6,8-difluoro-4-keto-4a,5,8,8a-tetrahydroquinoline-3-carboxylic acid Formula: C19H26F2N4O3 MolecularWeight: 396.431546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C(C3C(C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(C3C(C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F

InChI

InChI=1S/C19H26F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,12,14-16,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+,12?,14?,15?,16?