1-[4-oxidanyl-4-[2-(4-phenylazepan-1-yl)carbonyl-1-benzofuran-5-yl]piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[4-oxidanyl-4-[2-(4-phenylazepan-1-yl)carbonyl-1-benzofuran-5-yl]piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[4-hydroxy-4-[2-(4-phenylazepane-1-carbonyl)benzofuran-5-yl]-1-piperidyl]but-2-yn-1-one CAS Name: 1-[4-hydroxy-4-[2-[oxo-(4-phenyl-1-azepanyl)methyl]-5-benzofuranyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[4-hydroxy-4-[2-(4-phenylazepane-1-carbonyl)-1-benzofuran-5-yl]piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[4-hydroxy-4-[2-(4-phenylazepane-1-carbonyl)benzofuran-5-yl]piperidino]but-2-yn-1-one Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCCC(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCCC(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H32N2O4/c1-2-7-28(33)31-18-14-30(35,15-19-31)25-11-12-26-24(20-25)21-27(36-26)29(34)32-16-6-10-23(13-17-32)22-8-4-3-5-9-22/h3-5,8-9,11-12,20-21,23,35H,6,10,13-19H2,1H3