N-butyl-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-butyl-2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-butyl-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-butyl-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-butyl-2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]acetamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O2/c1-4-5-12-23-20(26)14-25-22(27)18-9-7-6-8-17(18)21(24-25)19-13-15(2)10-11-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)