1-(3-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(3-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(3-methyl-1,4-diazepan-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(3-methyl-1,4-diazepan-1-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(3-methyl-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-1-(3-methyl-1,4-diazepan-1-yl)quinoline-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1)N2C=C(C(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1CN(CCCN1)N2C=C(C(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-11-9-18(8-4-7-17-11)19-10-13(16(21)22)15(20)12-5-2-3-6-14(12)19/h2-3,5-6,10-11,17H,4,7-9H2,1H3,(H,21,22)