N-[[4-[[2-methyl-3-(methylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[2-methyl-3-(methylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[2-methyl-3-(methylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[2-methyl-3-(methylcarbamoyl)anilino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[2-methyl-3-(methylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-methyl-3-(methylcarbamoyl)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=C1NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC

InChI

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