8-chloranyl-7-oxidanylidene-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1H-quinoline-4-carboxylic acid

Systemtic Name: 8-chloranyl-7-oxidanylidene-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1H-quinoline-4-carboxylic acid Openeye Name: 8-chloro-7-oxo-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]-1H-quinoline-4-carboxylic acid CAS Name: 8-chloro-7-oxo-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-1H-quinoline-4-carboxylic acid IUPAC Name: 8-chloro-7-oxo-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1H-quinoline-4-carboxylic acid Traditional Name: 8-chloro-7-keto-2-phenyl-3-[(4-piperidinopiperidino)methyl]-1H-quinoline-4-carboxylic acid Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=C(NC4=C(C(=O)C=CC4=C3C(=O)O)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=C(NC4=C(C(=O)C=CC4=C3C(=O)O)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H30ClN3O3/c28-24-22(32)10-9-20-23(27(33)34)21(25(29-26(20)24)18-7-3-1-4-8-18)17-30-15-11-19(12-16-30)31-13-5-2-6-14-31/h1,3-4,7-10,19,29H,2,5-6,11-17H2,(H,33,34)