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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-27-20-9-5-4-8-18(20)10-11-21(25)23-16-12-19(13-17-23)22(26)24-14-6-2-3-7-15-24/h4-5,8-11,19H,2-3,6-7,12-17H2,1H3/b11-10+