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

Systemtic Name: 7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CC5CC=CC(C5C4)N)Cl)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CC5CC=CC(C5C4)N)Cl)C(=O)O

InChI

InChI=1S/C21H22ClN3O3/c22-18-17(24-8-11-2-1-3-16(23)14(11)9-24)7-6-13-19(18)25(12-4-5-12)10-15(20(13)26)21(27)28/h1,3,6-7,10-12,14,16H,2,4-5,8-9,23H2,(H,27,28)