7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-chloranyl-1-cyclopropyl-4-oxidanylidene-2H-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC(C(=O)C3=C2C=C(C=C3)N4CC5CC=CC(C5C4)N)(C(=O)O)Cl

Isomeric SMILES

C1CC1N2CC(C(=O)C3=C2C=C(C=C3)N4CC5CC=CC(C5C4)N)(C(=O)O)Cl

InChI

InChI=1S/C21H24ClN3O3/c22-21(20(27)28)11-25(13-4-5-13)18-8-14(6-7-15(18)19(21)26)24-9-12-2-1-3-17(23)16(12)10-24/h1,3,6-8,12-13,16-17H,2,4-5,9-11,23H2,(H,27,28)