4-oxidanylidene-N-(4-pentylphenyl)-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(4-pentylphenyl)-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-(4-pentylphenyl)-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(4-pentylphenyl)-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-(4-pentylphenyl)-3H-phthalazine-1-carboxamide Traditional Name: N-(4-amylphenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2/c1-2-3-4-7-14-10-12-15(13-11-14)21-20(25)18-16-8-5-6-9-17(16)19(24)23-22-18/h5-6,8-13H,2-4,7H2,1H3,(H,21,25)(H,23,24)