(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(piperidine-1-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(piperidine-1-carbonyl)piperidino]prop-2-en-1-one Formula: C22H29ClN2O4 MolecularWeight: 420.92966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)N3CCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCC3)Cl)OC

InChI

InChI=1S/C22H29ClN2O4/c1-28-19-15-16(14-18(23)21(19)29-2)6-7-20(26)24-12-8-17(9-13-24)22(27)25-10-4-3-5-11-25/h6-7,14-15,17H,3-5,8-13H2,1-2H3/b7-6+