3-[1-(2-methoxy-4-methyl-phenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(2-methoxy-4-methyl-phenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2-methoxy-4-methyl-phenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2-methoxy-4-methylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2-methoxy-4-methylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2-methoxy-4-methyl-phenyl)ethylamino]azepan-2-one Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC2CCCCNC2=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC2CCCCNC2=O)OC

InChI

InChI=1S/C16H24N2O2/c1-11-7-8-13(15(10-11)20-3)12(2)18-14-6-4-5-9-17-16(14)19/h7-8,10,12,14,18H,4-6,9H2,1-3H3,(H,17,19)