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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-13(2)12-15-7-9-16(10-8-15)14(3)20-17-6-4-5-11-19-18(17)21/h7-10,13-14,17,20H,4-6,11-12H2,1-3H3,(H,19,21)