2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(5-tert-butyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(5-tert-butyl-2-methoxy-phenyl)ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(1,4-diketo-3H-phthalazin-2-yl)acetamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)13-9-10-17(28-4)16(11-13)22-18(25)12-24-20(27)15-8-6-5-7-14(15)19(26)23-24/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26)