7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-5-methyl-quinoline-3-carboxylic acid Formula: C21H23F2N3O3 MolecularWeight: 403.422426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCN4CCCC4C3)F)N(C=C(C2=O)C(=O)O)C5CC5

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCN4CCCC4C3)F)N(C=C(C2=O)C(=O)O)C5CC5

InChI

InChI=1S/C21H23F2N3O3/c1-11-15-18(26(12-4-5-12)10-14(20(15)27)21(28)29)17(23)19(16(11)22)25-8-7-24-6-2-3-13(24)9-25/h10,12-13H,2-9H2,1H3,(H,28,29)