N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O2/c1-14-13-16(21)7-8-17(14)22-19(25)9-10-20(26)24-12-11-18(23-24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,25)