6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-(4-cyclohexylpiperazino)phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C(=O)N4)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C(=O)N4)C(=O)O

InChI

InChI=1S/C22H27N3O3/c26-21-19(22(27)28)10-11-20(23-21)16-6-8-18(9-7-16)25-14-12-24(13-15-25)17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2,(H,23,26)(H,27,28)