3-[2-(1-azanylethyl)-4-methyl-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(1-azanylethyl)-4-methyl-phenoxy]azepan-2-one Openeye Name: 3-[2-(1-aminoethyl)-4-methyl-phenoxy]azepan-2-one CAS Name: 3-[2-(1-aminoethyl)-4-methylphenoxy]-2-azepanone IUPAC Name: 3-[2-(1-aminoethyl)-4-methylphenoxy]azepan-2-one Traditional Name: 3-[2-(1-aminoethyl)-4-methyl-phenoxy]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CCCCNC2=O)C(C)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CCCCNC2=O)C(C)N

InChI

InChI=1S/C15H22N2O2/c1-10-6-7-13(12(9-10)11(2)16)19-14-5-3-4-8-17-15(14)18/h6-7,9,11,14H,3-5,8,16H2,1-2H3,(H,17,18)