N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-keto-N,3-dimethyl-phthalazine-1-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-14-11-15(2)13-16(12-14)27-10-9-23(3)21(26)19-17-7-5-6-8-18(17)20(25)24(4)22-19/h5-8,11-13H,9-10H2,1-4H3