N-heptan-2-yl-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-heptan-2-yl-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(1-methylhexyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-heptan-2-yl-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-heptan-2-yl-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(1-methylhexyl)-3H-phthalazine-1-carboxamide Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCC(C)NC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H21N3O2/c1-3-4-5-8-11(2)17-16(21)14-12-9-6-7-10-13(12)15(20)19-18-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,21)(H,19,20)