(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-ethyl-1-benzofuran-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-ethyl-1-benzofuran-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2-ethylbenzofuran-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2-ethyl-3-benzofuranyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(2-ethyl-1-benzofuran-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2-ethylbenzofuran-3-yl)prop-2-en-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O3/c1-2-22-21(20-9-5-6-10-23(20)30-22)11-12-24(28)26-17-13-19(14-18-26)25(29)27-15-7-3-4-8-16-27/h5-6,9-12,19H,2-4,7-8,13-18H2,1H3/b12-11+