N-[[4-[(3-acetamido-4-fluoranyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(3-acetamido-4-fluoranyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(3-acetamido-4-fluoro-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(3-acetamido-4-fluoroanilino)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(3-acetamido-4-fluorophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(3-acetamido-4-fluoro-phenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H30FN3O3 MolecularWeight: 463.543803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C27H30FN3O3/c1-16(32)30-24-11-22(6-7-23(24)28)31-25(33)21-4-2-17(3-5-21)15-29-26(34)27-12-18-8-19(13-27)10-20(9-18)14-27/h2-7,11,18-20H,8-10,12-15H2,1H3,(H,29,34)(H,30,32)(H,31,33)