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

Systemtic Name: 2-(1-adamantyl)-N-[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl)C

InChI

InChI=1S/C27H29ClN2O2/c1-15-5-16(2)25-23(6-15)30-26(32-25)21-10-20(3-4-22(21)28)29-24(31)14-27-11-17-7-18(12-27)9-19(8-17)13-27/h3-6,10,17-19H,7-9,11-14H2,1-2H3,(H,29,31)