[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-pyridyl]-pyrrolidino-methanone Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20N2O3S/c22-19(21-8-1-2-9-21)14-4-7-18(20-13-14)25-15-5-6-16-17(12-15)24-11-3-10-23-16/h4-7,12-13H,1-3,8-11H2