3-methyl-4-oxidanylidene-N-[3-(2,3,5-trimethylphenoxy)propyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[3-(2,3,5-trimethylphenoxy)propyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[3-(2,3,5-trimethylphenoxy)propyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(2,3,5-trimethylphenoxy)propyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[3-(2,3,5-trimethylphenoxy)propyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[3-(2,3,5-trimethylphenoxy)propyl]phthalazine-1-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-14-12-15(2)16(3)19(13-14)28-11-7-10-23-21(26)20-17-8-5-6-9-18(17)22(27)25(4)24-20/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,23,26)