N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C28H26N4O5 MolecularWeight: 498.52984

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N4O5/c1-2-3-8-15-32-28(35)20-10-5-4-9-19(20)25(31-32)27(34)30-22-12-7-6-11-21(22)26(33)29-18-13-14-23-24(16-18)37-17-36-23/h4-7,9-14,16H,2-3,8,15,17H2,1H3,(H,29,33)(H,30,34)