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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[3-(propylcarbamoyl)phenyl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[3-(propylcarbamoyl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-[oxo(propylamino)methyl]anilino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[3-(propylcarbamoyl)anilino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[3-(propylcarbamoyl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O3/c1-4-8-27-23(30)20-6-5-7-21(12-20)28-24(31)22(16(2)3)29-25(32)26-13-17-9-18(14-26)11-19(10-17)15-26/h5-7,12,16-19,22H,4,8-11,13-15H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)