2-[5-(4-azanyl-3-chloranyl-4-oxidanylidene-butoxy)-2,4-bis(2-methylbutan-2-yl)phenyl]-2-[3,5-bis(oxidanylidene)-2-phenyl-1-(phenylmethyl)-1,2,4-triazinan-4-yl]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-[5-(4-azanyl-3-chloranyl-4-oxidanylidene-butoxy)-2,4-bis(2-methylbutan-2-yl)phenyl]-2-[3,5-bis(oxidanylidene)-2-phenyl-1-(phenylmethyl)-1,2,4-triazinan-4-yl]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-[5-(4-amino-3-chloro-4-oxo-butoxy)-2,4-bis(1,1-dimethylpropyl)phenyl]-2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazinan-4-yl)-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-[5-(4-amino-3-chloro-4-oxobutoxy)-2,4-bis(2-methylbutan-2-yl)phenyl]-2-[3,5-dioxo-2-phenyl-1-(phenylmethyl)-1,2,4-triazinan-4-yl]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-[5-(4-amino-3-chloro-4-oxobutoxy)-2,4-bis(2-methylbutan-2-yl)phenyl]-2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazinan-4-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-[5-(4-amino-3-chloro-4-keto-butoxy)-2,4-ditert-amyl-phenyl]-2-(1-benzyl-3,5-diketo-2-phenyl-1,2,4-triazinan-4-yl)-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C49H60ClN5O6 MolecularWeight: 850.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1C(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)N3C(=O)CN(N(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)OCCC(C(=O)N)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1C(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)N3C(=O)CN(N(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)OCCC(C(=O)N)Cl)C(C)(C)CC

InChI

InChI=1S/C49H60ClN5O6/c1-10-47(6,7)36-29-38(48(8,9)11-2)40(61-28-27-39(50)42(51)57)30-37(36)49(43(58)46(3,4)5,44(59)52-34-23-17-13-18-24-34)54-41(56)32-53(31-33-21-15-12-16-22-33)55(45(54)60)35-25-19-14-20-26-35/h12-26,29-30,39H,10-11,27-28,31-32H2,1-9H3,(H2,51,57)(H,52,59)