N-(2-methylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(o-tolyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(2-methylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(o-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=C3C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C

InChI

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