N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-piperonyl-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-13(2)11-24-21(26)16-6-4-3-5-15(16)19(23-24)20(25)22-10-14-7-8-17-18(9-14)28-12-27-17/h3-9,13H,10-12H2,1-2H3,(H,22,25)