3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)C

InChI

InChI=1S/C21H22N4O3/c1-4-14-9-7-8-13(2)18(14)23-17(26)12-25-21(28)16-11-6-5-10-15(16)19(24-25)20(27)22-3/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,26)