4-[[azanyl-(3-oxidanyl-1-phenyl-butan-2-yl)amino]methyl]-2,3,3-trimethyl-cyclohexan-1-one

Systemtic Name: 4-[[azanyl-(3-oxidanyl-1-phenyl-butan-2-yl)amino]methyl]-2,3,3-trimethyl-cyclohexan-1-one Openeye Name: 4-[[amino-(1-benzyl-2-hydroxy-propyl)amino]methyl]-2,3,3-trimethyl-cyclohexanone CAS Name: 4-[[amino-(3-hydroxy-1-phenylbutan-2-yl)amino]methyl]-2,3,3-trimethyl-1-cyclohexanone IUPAC Name: 4-[[amino-(3-hydroxy-1-phenylbutan-2-yl)amino]methyl]-2,3,3-trimethylcyclohexan-1-one Traditional Name: 4-[[amino-(1-benzyl-2-hydroxy-propyl)amino]methyl]-2,3,3-trimethyl-cyclohexanone Formula: C20H32N2O2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCC(C1(C)C)CN(C(CC2=CC=CC=C2)C(C)O)N

Isomeric SMILES

CC1C(=O)CCC(C1(C)C)CN(C(CC2=CC=CC=C2)C(C)O)N

InChI

InChI=1S/C20H32N2O2/c1-14-19(24)11-10-17(20(14,3)4)13-22(21)18(15(2)23)12-16-8-6-5-7-9-16/h5-9,14-15,17-18,23H,10-13,21H2,1-4H3