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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3/c1-15-13-17(23)7-8-18(15)25-21(29)14-24-20(28)9-10-22(30)27-12-11-19(26-27)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,24,28)(H,25,29)