4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,4-dimethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,4-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,4-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,4-dimethylphenyl)-4-oxobutanamide IUPAC Name: 4-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-N-(2,4-dimethylphenyl)-4-oxobutanamide Traditional Name: 4-[3,5-bis(4-bromophenyl)-2-pyrazolin-1-yl]-N-(2,4-dimethylphenyl)-4-keto-butyramide Formula: C27H25Br2N3O2 MolecularWeight: 583.3143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H25Br2N3O2/c1-17-3-12-23(18(2)15-17)30-26(33)13-14-27(34)32-25(20-6-10-22(29)11-7-20)16-24(31-32)19-4-8-21(28)9-5-19/h3-12,15,25H,13-14,16H2,1-2H3,(H,30,33)