N-[3-methyl-1-[3-[methyl(phenyl)amino]propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[3-[methyl(phenyl)amino]propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[3-(N-methylanilino)propylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[3-(N-methylanilino)propylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCN(C)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCCN(C)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O2/c1-18(2)23(24(30)27-10-7-11-29(3)22-8-5-4-6-9-22)28-25(31)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-6,8-9,18-21,23H,7,10-17H2,1-3H3,(H,27,30)(H,28,31)