2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepane

Systemtic Name: 2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepane Openeye Name: 2-(2-isochroman-1-ylethyl)-1,4-diazepane CAS Name: 2-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1,4-diazepane IUPAC Name: 2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepane Traditional Name: 2-(2-isochroman-1-ylethyl)-1,4-diazepane Formula: C16H24N2O MolecularWeight: 260.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NC1)CCC2C3=CC=CC=C3CCO2

Isomeric SMILES

C1CNCC(NC1)CCC2C3=CC=CC=C3CCO2

InChI

InChI=1S/C16H24N2O/c1-2-5-15-13(4-1)8-11-19-16(15)7-6-14-12-17-9-3-10-18-14/h1-2,4-5,14,16-18H,3,6-12H2