3-(azepan-1-ylmethyl)-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylic acid

Systemtic Name: 3-(azepan-1-ylmethyl)-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylic acid Openeye Name: 3-(azepan-1-ylmethyl)-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid CAS Name: 3-(1-azepanylmethyl)-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid IUPAC Name: 3-(azepan-1-ylmethyl)-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid Traditional Name: 3-(azepan-1-ylmethyl)-4-keto-2-methyl-1H-quinoline-8-carboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)O)CN3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)O)CN3CCCCCC3

InChI

InChI=1S/C18H22N2O3/c1-12-15(11-20-9-4-2-3-5-10-20)17(21)13-7-6-8-14(18(22)23)16(13)19-12/h6-8H,2-5,9-11H2,1H3,(H,19,21)(H,22,23)