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

Systemtic Name: 1-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-(4-cyanophenyl)-1-piperazinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-(4-cyanophenyl)piperazino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O3/c23-14-16-4-6-18(7-5-16)25-11-9-24(10-12-25)15-17-13-19(22(28)29)21(27)26-8-2-1-3-20(17)26/h1-8,13H,9-12,15H2,(H,28,29)