N-(3-methylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(m-tolyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(m-tolyl)phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23N3O2/c1-3-4-7-13-24-21(26)18-12-6-5-11-17(18)19(23-24)20(25)22-16-10-8-9-15(2)14-16/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,22,25)