N-[1-(1-adamantyl)propyl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CS4)CN5C=C(C=N5)Cl

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CS4)CN5C=C(C=N5)Cl

InChI

InChI=1S/C22H28ClN3OS/c1-2-20(22-7-14-3-15(8-22)5-16(4-14)9-22)25-21(27)19-6-17(13-28-19)11-26-12-18(23)10-24-26/h6,10,12-16,20H,2-5,7-9,11H2,1H3,(H,25,27)