N-(1-adamantyl)-4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantyl)-4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-12-19(22)13(2)25(24-12)10-17-6-18(27-11-17)20(26)23-21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11,14-16H,3-5,7-10H2,1-2H3,(H,23,26)