N-heptan-2-yl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-heptan-2-yl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(1-methylhexyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-heptan-2-yl-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-heptan-2-yl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(1-methylhexyl)phthalazine-1-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-3-4-6-11-17(2)24-22(27)21-19-14-9-10-15-20(19)23(28)26(25-21)16-18-12-7-5-8-13-18/h5,7-10,12-15,17H,3-4,6,11,16H2,1-2H3,(H,24,27)