N-[[4-[[(2-methylphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(2-methylphenyl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(2-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(o-toluoylamino)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O3/c1-17-4-2-3-5-23(17)25(32)30-29-24(31)22-8-6-18(7-9-22)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)