N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-piperonyl-phthalazine-1-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4/c1-2-3-6-11-25-22(27)17-8-5-4-7-16(17)20(24-25)21(26)23-13-15-9-10-18-19(12-15)29-14-28-18/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,23,26)