(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(3-fluoro-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C22H29FN2O3 MolecularWeight: 388.475663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O3/c1-28-20-8-6-17(16-19(20)23)7-9-21(26)24-14-10-18(11-15-24)22(27)25-12-4-2-3-5-13-25/h6-9,16,18H,2-5,10-15H2,1H3/b9-7+