N-[[4-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-(2-ketoazepan-1-yl)propylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H39N3O3/c32-25-5-2-1-3-11-31(25)12-4-10-29-26(33)24-8-6-20(7-9-24)19-30-27(34)28-16-21-13-22(17-28)15-23(14-21)18-28/h6-9,21-23H,1-5,10-19H2,(H,29,33)(H,30,34)