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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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