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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-piperonyl-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-2-3-10-24-21(26)16-7-5-4-6-15(16)19(23-24)20(25)22-12-14-8-9-17-18(11-14)28-13-27-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,25)