3-butyl-N-(2,5-dimethylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2,5-dimethylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2,5-dimethylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2,5-dimethylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2,5-dimethylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(2,5-dimethylphenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O2/c1-4-5-12-24-21(26)17-9-7-6-8-16(17)19(23-24)20(25)22-18-13-14(2)10-11-15(18)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)