N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-homopiperonyl-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

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