N-[[4-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[3-[methyl-(phenylmethyl)amino]propylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-[benzyl(methyl)amino]propylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C30H39N3O2 MolecularWeight: 473.64956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CN(CCCNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C30H39N3O2/c1-33(21-23-6-3-2-4-7-23)13-5-12-31-28(34)27-10-8-22(9-11-27)20-32-29(35)30-17-24-14-25(18-30)16-26(15-24)19-30/h2-4,6-11,24-26H,5,12-21H2,1H3,(H,31,34)(H,32,35)