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

Systemtic Name: 1-[(4-cyano-4-quinoxalin-2-yl-piperidin-1-yl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[(4-cyano-4-quinoxalin-2-yl-1-piperidyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(2-quinoxalinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[(4-cyano-4-quinoxalin-2-ylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[(4-cyano-4-quinoxalin-2-yl-piperidino)methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=NC3=CC=CC=C3N=C2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=NC3=CC=CC=C3N=C2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

InChI

InChI=1S/C25H21N5O3/c26-16-25(22-14-27-19-5-1-2-6-20(19)28-22)8-11-29(12-9-25)15-17-13-18(24(32)33)23(31)30-10-4-3-7-21(17)30/h1-7,10,13-14H,8-9,11-12,15H2,(H,32,33)