N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-2-(3-chloranyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-2-(3-chloranyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: N-[5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-chloro-phenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide Traditional Name: N-[2-chloro-5-[4-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-3-keto-4,4-dimethyl-valeramide Formula: C35H47Cl2N5O4 MolecularWeight: 672.68478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C=NC(=N3)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C=NC(=N3)Cl)C(C)(C)CC

InChI

InChI=1S/C35H47Cl2N5O4/c1-10-34(6,7)22-14-17-27(24(19-22)35(8,9)11-2)46-18-12-13-28(43)39-23-15-16-25(36)26(20-23)40-31(45)29(30(44)33(3,4)5)42-21-38-32(37)41-42/h14-17,19-21,29H,10-13,18H2,1-9H3,(H,39,43)(H,40,45)