N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H27ClN2O2/c1-16-24(25(30-32-16)22-4-2-3-5-23(22)28)26(31)29-21-8-6-20(7-9-21)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-9,17-19H,10-15H2,1H3,(H,29,31)