N-(1,3-benzodioxol-5-yl)-1-(2-phenylquinolin-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-phenylquinolin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(2-phenyl-4-quinolinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-phenylquinoline-4-carbonyl)isonipecotamide Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H25N3O4/c33-28(30-21-10-11-26-27(16-21)36-18-35-26)20-12-14-32(15-13-20)29(34)23-17-25(19-6-2-1-3-7-19)31-24-9-5-4-8-22(23)24/h1-11,16-17,20H,12-15,18H2,(H,30,33)