5-[4-[(5S,7R)-3-bromanyl-1-adamantyl]phenyl]imino-3,3-dimethyl-cyclohexan-1-one

Systemtic Name: 5-[4-[(5S,7R)-3-bromanyl-1-adamantyl]phenyl]imino-3,3-dimethyl-cyclohexan-1-one Openeye Name: 5-[4-[(5S,7R)-3-bromo-1-adamantyl]phenyl]imino-3,3-dimethyl-cyclohexanone CAS Name: 5-[4-[(5S,7R)-3-bromo-1-adamantyl]phenyl]imino-3,3-dimethyl-1-cyclohexanone IUPAC Name: 5-[4-[(5S,7R)-3-bromo-1-adamantyl]phenyl]imino-3,3-dimethylcyclohexan-1-one Traditional Name: 5-[4-[(5S,7R)-3-bromo-1-adamantyl]phenyl]imino-3,3-dimethyl-cyclohexanone Formula: C24H30BrNO MolecularWeight: 428.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)Br)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=NC2=CC=C(C=C2)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br)CC(=O)C1)C

InChI

InChI=1S/C24H30BrNO/c1-22(2)13-20(8-21(27)14-22)26-19-5-3-18(4-6-19)23-9-16-7-17(10-23)12-24(25,11-16)15-23/h3-6,16-17H,7-15H2,1-2H3/t16-,17+,23?,24?