(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxamide CAS Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carboxamide Traditional Name: (3R)-1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-N-piperonyl-nipecotamide Formula: C29H26ClN3O4 MolecularWeight: 515.98744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26ClN3O4/c30-21-9-10-23-22(14-21)26(19-5-2-1-3-6-19)27(29(35)32-23)33-12-4-7-20(16-33)28(34)31-15-18-8-11-24-25(13-18)37-17-36-24/h1-3,5-6,8-11,13-14,20H,4,7,12,15-17H2,(H,31,34)(H,32,35)/t20-/m1/s1