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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]anilino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C(C)N2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C(C)N2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37N5O3/c1-17(2)24(32-27(36)28-14-19-10-20(15-28)12-21(11-19)16-28)26(35)31-23-7-4-6-22(13-23)30-25(34)18(3)33-9-5-8-29-33/h4-9,13,17-21,24H,10-12,14-16H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)