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

Systemtic Name: N-[[4-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[3-(1-oxopropylamino)anilino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(3-propionamidophenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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