1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one

Systemtic Name: 1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one CAS Name: 1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 1-[3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(CCC2=C1)C3CN(CCCN3)C(=O)C#C)OC

Isomeric SMILES

COC1=C(C=C2C=C(CCC2=C1)C3CN(CCCN3)C(=O)C#C)OC

InChI

InChI=1S/C20H24N2O3/c1-4-20(23)22-9-5-8-21-17(13-22)15-7-6-14-11-18(24-2)19(25-3)12-16(14)10-15/h1,10-12,17,21H,5-9,13H2,2-3H3