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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyridin-3-ylquinolin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-pyridyl)quinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-pyridyl)quinoline-4-carbonyl]isonipecotamide Formula: C28H24N4O4 MolecularWeight: 480.51456

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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=CN=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O4/c33-27(30-20-7-8-25-26(14-20)36-17-35-25)18-9-12-32(13-10-18)28(34)22-15-24(19-4-3-11-29-16-19)31-23-6-2-1-5-21(22)23/h1-8,11,14-16,18H,9-10,12-13,17H2,(H,30,33)