N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-5-tetrahydropyran-4-yl-1H-pyrazol-4-yl]thiophene-2-carboxamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-5-(4-oxanyl)-1H-pyrazol-4-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-5-tetrahydropyran-4-yl-1H-pyrazol-4-yl]thiophene-2-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2NC(=O)C3=CC=CS3)C4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2NC(=O)C3=CC=CS3)C4CCOCC4)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-15-6-5-14(12-16(15)27-2)19-20(22-21(25)17-4-3-11-29-17)18(23-24-19)13-7-9-28-10-8-13/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)(H,23,24)