6-azanyl-7-(azepan-1-yl)-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-(azepan-1-yl)-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-(azepan-1-yl)-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-(1-azepanyl)-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-(azepan-1-yl)-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-(azepan-1-yl)-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCCCCC3)N)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCCCCC3)N)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C20H25N3O3/c1-12-17-14(10-16(21)18(12)22-8-4-2-3-5-9-22)19(24)15(20(25)26)11-23(17)13-6-7-13/h10-11,13H,2-9,21H2,1H3,(H,25,26)