N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide CAS Name: N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide Formula: C21H23Cl2N3O MolecularWeight: 404.33282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NN4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NN4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O/c22-15-1-2-16(17(23)6-15)18-7-19(26-25-18)20(27)24-11-21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14H,3-5,8-11H2,(H,24,27)(H,25,26)