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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(p-tolyl)prop-2-en-1-one Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O2/c1-18-6-8-19(9-7-18)10-11-21(25)23-16-12-20(13-17-23)22(26)24-14-4-2-3-5-15-24/h6-11,20H,2-5,12-17H2,1H3/b11-10+