(2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)cyclohexan-1-one

Systemtic Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)cyclohexan-1-one Openeye Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)cyclohexanone CAS Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)-1-cyclohexanone IUPAC Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)cyclohexan-1-one Traditional Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-(4-bromophenyl)cyclohexanone Formula: C29H33BrN2O MolecularWeight: 505.48912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2CC(CCC2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C([C@@H]2C[C@H](CCC2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C29H33BrN2O/c1-31(2)25-14-7-21(8-15-25)29(22-9-16-26(17-10-22)32(3)4)27-19-23(11-18-28(27)33)20-5-12-24(30)13-6-20/h5-10,12-17,23,27,29H,11,18-19H2,1-4H3/t23-,27+/m0/s1