2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[9-chloranyl-2,4,6-tris(oxidanylidene)-1H-1,5-benzodiazepin-7-yl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[9-chloranyl-2,4,6-tris(oxidanylidene)-1H-1,5-benzodiazepin-7-yl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(9-chloro-2,4,6-trioxo-1H-1,5-benzodiazepin-7-yl)butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(9-chloro-2,4,6-trioxo-1H-1,5-benzodiazepin-7-yl)butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(9-chloro-2,4,6-trioxo-1H-1,5-benzodiazepin-7-yl)butanamide Traditional Name: N-(9-chloro-2,4,6-triketo-1H-1,5-benzodiazepin-7-yl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C29H36ClN3O5 MolecularWeight: 542.06624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C2C(=NC(=O)CC(=O)N2)C1=O)Cl)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C2C(=NC(=O)CC(=O)N2)C1=O)Cl)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C29H36ClN3O5/c1-8-20(38-21-12-11-16(28(4,5)9-2)13-17(21)29(6,7)10-3)27(37)31-19-14-18(30)24-25(26(19)36)33-23(35)15-22(34)32-24/h11-14,20H,8-10,15H2,1-7H3,(H,31,37)(H,32,34)