N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H20BrN3O4/c22-15-12-18-19(29-11-10-28-18)13-17(15)23-20(26)6-7-21(27)25-9-8-16(24-25)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,26)