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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(piperonylcarbamoyl)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H24N4O5/c1-2-13-31-27(34)19-8-4-3-7-18(19)24(30-31)26(33)29-21-10-6-5-9-20(21)25(32)28-15-17-11-12-22-23(14-17)36-16-35-22/h3-12,14H,2,13,15-16H2,1H3,(H,28,32)(H,29,33)