N-[3-methyl-1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[4-[(3-methyl-1-oxobutyl)amino]anilino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[4-(3-methylbutanoylamino)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[4-(isovalerylamino)phenyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H39N3O3/c1-16(2)9-23(31)28-21-5-7-22(8-6-21)29-25(32)24(17(3)4)30-26(33)27-13-18-10-19(14-27)12-20(11-18)15-27/h5-8,16-20,24H,9-15H2,1-4H3,(H,28,31)(H,29,32)(H,30,33)