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

Systemtic Name: N-heptan-2-yl-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(1-methylhexyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-heptan-2-yl-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-heptan-2-yl-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(1-methylhexyl)-3-propyl-phthalazine-1-carboxamide Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC

Isomeric SMILES

CCCCCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC

InChI

InChI=1S/C19H27N3O2/c1-4-6-7-10-14(3)20-18(23)17-15-11-8-9-12-16(15)19(24)22(21-17)13-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,20,23)