N-[2-[(3-methylphenyl)carbamoyl]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(3-methylphenyl)carbamoyl]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(m-tolylcarbamoyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-[(3-methylanilino)-oxomethyl]phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(3-methylphenyl)carbamoyl]phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(m-tolylcarbamoyl)phenyl]phthalazine-1-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C28H28N4O3/c1-3-4-9-17-32-28(35)22-14-6-5-13-21(22)25(31-32)27(34)30-24-16-8-7-15-23(24)26(33)29-20-12-10-11-19(2)18-20/h5-8,10-16,18H,3-4,9,17H2,1-2H3,(H,29,33)(H,30,34)