5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one Openeye Name: 5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-(m-tolylmethyl)azepan-2-one CAS Name: 5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-[(3-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one Traditional Name: 5-[1,4-dioxan-2-ylmethyl(methyl)amino]-1-(3-methylbenzyl)azepan-2-one Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N(C)CC3COCCO3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N(C)CC3COCCO3

InChI

InChI=1S/C20H30N2O3/c1-16-4-3-5-17(12-16)13-22-9-8-18(6-7-20(22)23)21(2)14-19-15-24-10-11-25-19/h3-5,12,18-19H,6-11,13-15H2,1-2H3