2-(1-adamantyl)-N-[4-(7-bromanyl-5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(7-bromanyl-5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide Formula: C27H29BrN2O2 MolecularWeight: 493.43536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29BrN2O2/c1-2-16-10-22(28)25-23(11-16)30-26(32-25)20-3-5-21(6-4-20)29-24(31)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h3-6,10-11,17-19H,2,7-9,12-15H2,1H3,(H,29,31)