4-chloranyl-N-[5-(2-hydroxyethylcarbamoyl)-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[5-(2-hydroxyethylcarbamoyl)-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[5-(2-hydroxyethylcarbamoyl)-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]pyrazole-3-carboxamide CAS Name: 4-chloro-N-[5-[(2-hydroxyethylamino)-oxomethyl]-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[5-(2-hydroxyethylcarbamoyl)-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]pyrazole-3-carboxamide Traditional Name: 4-chloro-N-[5-(2-hydroxyethylcarbamoyl)-2-adamantyl]-1-methyl-5-[methyl(propyl)amino]pyrazole-3-carboxamide Formula: C22H34ClN5O3 MolecularWeight: 451.99006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=C(C(=NN1C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCCO)Cl

Isomeric SMILES

CCCN(C)C1=C(C(=NN1C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCCO)Cl

InChI

InChI=1S/C22H34ClN5O3/c1-4-6-27(2)20-16(23)18(26-28(20)3)19(30)25-17-14-8-13-9-15(17)12-22(10-13,11-14)21(31)24-5-7-29/h13-15,17,29H,4-12H2,1-3H3,(H,24,31)(H,25,30)