2-(2-adamantyl)-1-[(3-bromophenyl)methyl]-4,4-dimethyl-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-1-[(3-bromophenyl)methyl]-4,4-dimethyl-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-1-[(3-bromophenyl)methyl]-4,4-dimethyl-diazetidin-3-one CAS Name: 2-(2-adamantyl)-1-[(3-bromophenyl)methyl]-4,4-dimethyl-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-1-[(3-bromophenyl)methyl]-4,4-dimethyldiazetidin-3-one Traditional Name: 2-(2-adamantyl)-1-(3-bromobenzyl)-4,4-dimethyl-diazetidin-3-one Formula: C21H27BrN2O MolecularWeight: 403.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1CC2=CC(=CC=C2)Br)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1(C(=O)N(N1CC2=CC(=CC=C2)Br)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C21H27BrN2O/c1-21(2)20(25)24(23(21)12-13-4-3-5-18(22)11-13)19-16-7-14-6-15(9-16)10-17(19)8-14/h3-5,11,14-17,19H,6-10,12H2,1-2H3