(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-coumaran-5-yl-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O2/c1-23-13-5-7-19(23)20-6-3-2-4-14-24(20)22(25)11-9-17-8-10-21-18(16-17)12-15-26-21/h5,7-11,13,16,20H,2-4,6,12,14-15H2,1H3/b11-9+