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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-cyclopropylquinolin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-cyclopropylquinoline-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-cyclopropylquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-cyclopropylquinoline-4-carbonyl)isonipecotamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H25N3O4/c30-25(27-18-7-8-23-24(13-18)33-15-32-23)17-9-11-29(12-10-17)26(31)20-14-22(16-5-6-16)28-21-4-2-1-3-19(20)21/h1-4,7-8,13-14,16-17H,5-6,9-12,15H2,(H,27,30)