5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethynylphenyl)-1H-pyrazole-4-carboxamide Formula: C20H15N3O3 MolecularWeight: 345.3514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H15N3O3/c1-2-13-4-3-5-15(10-13)22-20(24)16-12-21-23-19(16)14-6-7-17-18(11-14)26-9-8-25-17/h1,3-7,10-12H,8-9H2,(H,21,23)(H,22,24)