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

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H21N3O3/c1-13-7-6-8-14(2)18(13)26-12-11-21-19(24)17-15-9-4-5-10-16(15)20(25)23(3)22-17/h4-10H,11-12H2,1-3H3,(H,21,24)