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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-(1-pyrazolyl)propylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]adamantane-1-carboxamide Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCN1C=CC=N1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCCN1C=CC=N1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H34N4O2/c1-15(2)19(20(27)23-5-3-7-26-8-4-6-24-26)25-21(28)22-12-16-9-17(13-22)11-18(10-16)14-22/h4,6,8,15-19H,3,5,7,9-14H2,1-2H3,(H,23,27)(H,25,28)