5-azanyl-1-tert-butyl-7-[3,5-dimethyl-4-[2-(pyrazin-2-ylcarbonylamino)ethyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-tert-butyl-7-[3,5-dimethyl-4-[2-(pyrazin-2-ylcarbonylamino)ethyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-tert-butyl-7-[3,5-dimethyl-4-[2-(pyrazine-2-carbonylamino)ethyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-tert-butyl-7-[3,5-dimethyl-4-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-tert-butyl-7-[3,5-dimethyl-4-[2-(pyrazine-2-carbonylamino)ethyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-tert-butyl-7-[3,5-dimethyl-4-[2-(pyrazinoylamino)ethyl]piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H34FN7O4 MolecularWeight: 539.601763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CCNC(=O)C2=NC=CN=C2)C)C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)N)F

Isomeric SMILES

CC1CN(CC(N1CCNC(=O)C2=NC=CN=C2)C)C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)N)F

InChI

InChI=1S/C27H34FN7O4/c1-15-12-33(13-16(2)34(15)9-8-32-25(37)18-11-30-6-7-31-18)20-10-19-21(23(29)22(20)28)24(36)17(26(38)39)14-35(19)27(3,4)5/h6-7,10-11,14-16H,8-9,12-13,29H2,1-5H3,(H,32,37)(H,38,39)