2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-phenyl-2-pyrrolidino-ethyl)nicotinamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-25(28-18-22(29-13-4-5-14-29)19-7-2-1-3-8-19)21-9-6-12-27-26(21)33-20-10-11-23-24(17-20)32-16-15-31-23/h1-3,6-12,17,22H,4-5,13-16,18H2,(H,28,30)