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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(3,4-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Formula: C23H32N2O4 MolecularWeight: 400.51118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H32N2O4/c1-28-20-9-7-18(17-21(20)29-2)8-10-22(26)24-15-11-19(12-16-24)23(27)25-13-5-3-4-6-14-25/h7-10,17,19H,3-6,11-16H2,1-2H3/b10-8+