1-[[4-cyano-4-(4-cyanophenyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(4-cyanophenyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(4-cyanophenyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(4-cyanophenyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(4-cyanophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(4-cyanophenyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=C(C=C2)C#N)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=C(C=C2)C#N)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

InChI

InChI=1S/C24H20N4O3/c25-14-17-4-6-19(7-5-17)24(16-26)8-11-27(12-9-24)15-18-13-20(23(30)31)22(29)28-10-2-1-3-21(18)28/h1-7,10,13H,8-9,11-12,15H2,(H,30,31)