1-[[4-cyano-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(5-methylthiazol-2-yl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(5-methyl-2-thiazolyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(5-methylthiazol-2-yl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CN=C(S1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

InChI=1S/C21H20N4O3S/c1-14-11-23-20(29-14)21(13-22)5-8-24(9-6-21)12-15-10-16(19(27)28)18(26)25-7-3-2-4-17(15)25/h2-4,7,10-11H,5-6,8-9,12H2,1H3,(H,27,28)