3-[1-(4-butylphenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(4-butylphenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(4-butylphenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(4-butylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(4-butylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(4-butylphenyl)ethylamino]azepan-2-one Formula: C18H28N2O MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C)NC2CCCCNC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C)NC2CCCCNC2=O

InChI

InChI=1S/C18H28N2O/c1-3-4-7-15-9-11-16(12-10-15)14(2)20-17-8-5-6-13-19-18(17)21/h9-12,14,17,20H,3-8,13H2,1-2H3,(H,19,21)