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

Systemtic Name: N-[3-oxidanylidene-3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[3-(2-pyrazol-1-ylpropanoylamino)anilino]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]anilino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[3-(2-pyrazol-1-ylpropanoylamino)anilino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[3-(2-pyrazol-1-ylpropanoylamino)anilino]propyl]adamantane-1-carboxamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)N5C=CC=N5

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)N5C=CC=N5

InChI

InChI=1S/C26H33N5O3/c1-17(31-9-3-7-28-31)24(33)30-22-5-2-4-21(13-22)29-23(32)6-8-27-25(34)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-5,7,9,13,17-20H,6,8,10-12,14-16H2,1H3,(H,27,34)(H,29,32)(H,30,33)