N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxine-3-carboxamide Openeye Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxine-3-carboxamide CAS Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxine-3-carboxamide Traditional Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-1,4-benzodioxin-3-carboxamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC(=O)C3=C(OC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=CC(=NN2)NC(=O)C3=C(OC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O3/c25-21(22-18-12-15(23-24-18)13-10-11-13)20-19(14-6-2-1-3-7-14)26-16-8-4-5-9-17(16)27-20/h1-9,12-13H,10-11H2,(H2,22,23,24,25)