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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-ylquinolin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-thienyl)quinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-ylquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-thienyl)quinoline-4-carbonyl]isonipecotamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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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=CS6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C27H23N3O4S/c31-26(28-18-7-8-23-24(14-18)34-16-33-23)17-9-11-30(12-10-17)27(32)20-15-22(25-6-3-13-35-25)29-21-5-2-1-4-19(20)21/h1-8,13-15,17H,9-12,16H2,(H,28,31)