N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyrrolidin-1-yl-ethanamine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyrrolidin-1-yl-ethanamine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyrrolidin-1-yl-ethanamine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-(1-pyrrolidinyl)ethanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyrrolidin-1-ylethanamine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(2-pyrrolidinoethyl)amine Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

C1CCN(C1)CCNCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C16H24N2O2/c1-2-9-18(8-1)10-7-17-13-14-5-3-6-15-16(14)20-12-4-11-19-15/h3,5-6,17H,1-2,4,7-13H2