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

Systemtic Name: 1-[[4-cyano-4-(3-methylphenyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(m-tolyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(3-methylphenyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(3-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(m-tolyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

InChI=1S/C24H23N3O3/c1-17-5-4-6-19(13-17)24(16-25)8-11-26(12-9-24)15-18-14-20(23(29)30)22(28)27-10-3-2-7-21(18)27/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H,29,30)