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

Systemtic Name: N-[[4-[(4-aminocarbonylphenyl)methyl-methyl-carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(4-carbamoylphenyl)methyl-methyl-carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[(4-carbamoylphenyl)methyl-methylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(4-carbamoylphenyl)methyl-methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(4-carbamoylbenzyl)-methyl-carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3/c1-31(17-19-4-6-23(7-5-19)25(29)32)26(33)24-8-2-18(3-9-24)16-30-27(34)28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,20-22H,10-17H2,1H3,(H2,29,32)(H,30,34)