7-(4-azanyl-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-7-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CC4C(C=CC(C4C3)N)C)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CC4C(C=CC(C4C3)N)C)Cl)C(=O)O

InChI

InChI=1S/C21H24ClN3O3/c1-3-24-10-15(21(27)28)20(26)12-5-7-17(18(22)19(12)24)25-8-13-11(2)4-6-16(23)14(13)9-25/h4-7,10-11,13-14,16H,3,8-9,23H2,1-2H3,(H,27,28)