2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-bromanyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-bromanyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]butanamide Openeye Name: N-(1-benzyl-4-bromo-5-oxo-4H-pyrazol-3-yl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-bromo-5-oxo-1-(phenylmethyl)-4H-pyrazol-3-yl]butanamide IUPAC Name: N-(1-benzyl-4-bromo-5-oxo-4H-pyrazol-3-yl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: N-(1-benzyl-4-bromo-5-keto-2-pyrazolin-3-yl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C30H40BrN3O3 MolecularWeight: 570.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C(=O)C1Br)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=NN(C(=O)C1Br)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C30H40BrN3O3/c1-8-23(37-24-17-16-21(29(4,5)9-2)18-22(24)30(6,7)10-3)27(35)32-26-25(31)28(36)34(33-26)19-20-14-12-11-13-15-20/h11-18,23,25H,8-10,19H2,1-7H3,(H,32,33,35)