7-[4-(cyanomethyl)piperazin-1-yl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(cyanomethyl)-1-piperazinyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(cyanomethyl)piperazino]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)CC#N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)CC#N)C(=O)O

InChI

InChI=1S/C18H20N4O3/c1-2-21-12-15(18(24)25)17(23)14-4-3-13(11-16(14)21)22-9-7-20(6-5-19)8-10-22/h3-4,11-12H,2,6-10H2,1H3,(H,24,25)