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

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-imidazol-1-yl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]butanamide Openeye Name: N-(1-benzyl-4-imidazol-1-yl-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-(1-imidazolyl)-5-oxo-1-(phenylmethyl)-4H-pyrazol-3-yl]butanamide IUPAC Name: N-(1-benzyl-4-imidazol-1-yl-5-oxo-4H-pyrazol-3-yl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: N-(1-benzyl-4-imidazol-1-yl-5-keto-2-pyrazolin-3-yl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C33H43N5O3 MolecularWeight: 557.72622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C(=O)C1N2C=CN=C2)CC3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=NN(C(=O)C1N2C=CN=C2)CC3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C33H43N5O3/c1-8-26(41-27-17-16-24(32(4,5)9-2)20-25(27)33(6,7)10-3)30(39)35-29-28(37-19-18-34-22-37)31(40)38(36-29)21-23-14-12-11-13-15-23/h11-20,22,26,28H,8-10,21H2,1-7H3,(H,35,36,39)