N-[[4-[[(4-methylphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(4-methylphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(p-toluoylamino)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-17-2-6-22(7-3-17)24(31)29-30-25(32)23-8-4-18(5-9-23)16-28-26(33)27-13-19-10-20(14-27)12-21(11-19)15-27/h2-9,19-21H,10-16H2,1H3,(H,28,33)(H,29,31)(H,30,32)