6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-1H-quinoline-2-carboxylic acid

Systemtic Name: 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-1H-quinoline-2-carboxylic acid Openeye Name: 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid CAS Name: 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid IUPAC Name: 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid Traditional Name: 4-keto-6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-1H-quinoline-2-carboxylic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C3C(=CC(=C2)OC)C(=O)C=C(N3)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=C3C(=CC(=C2)OC)C(=O)C=C(N3)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-19-4-3-5-20(7-6-19)14-9-11(24-2)8-12-15(21)10-13(17(22)23)18-16(12)14/h8-10H,3-7H2,1-2H3,(H,18,21)(H,22,23)