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

Systemtic Name: N-[[4-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(4-acetamido-3-methylanilino)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(4-acetamido-3-methylphenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(4-acetamido-3-methyl-phenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C

InChI

InChI=1S/C28H33N3O3/c1-17-9-24(7-8-25(17)30-18(2)32)31-26(33)23-5-3-19(4-6-23)16-29-27(34)28-13-20-10-21(14-28)12-22(11-20)15-28/h3-9,20-22H,10-16H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)