3-[[4-(diethylamino)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[4-(diethylamino)phenyl]methylamino]azepan-2-one Openeye Name: 3-[[4-(diethylamino)phenyl]methylamino]azepan-2-one CAS Name: 3-[[4-(diethylamino)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[4-(diethylamino)phenyl]methylamino]azepan-2-one Traditional Name: 3-[[4-(diethylamino)benzyl]amino]azepan-2-one Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CNC2CCCCNC2=O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CNC2CCCCNC2=O

InChI

InChI=1S/C17H27N3O/c1-3-20(4-2)15-10-8-14(9-11-15)13-19-16-7-5-6-12-18-17(16)21/h8-11,16,19H,3-7,12-13H2,1-2H3,(H,18,21)