4-(3-methylbut-1-ynyl)-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-(3-methylbut-1-ynyl)-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(3-methylbut-1-ynyl)phthalazin-1-one CAS Name: 4-(3-methylbut-1-ynyl)-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(3-methylbut-1-ynyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(3-methylbut-1-ynyl)phthalazin-1-one Formula: C20H18N2O MolecularWeight: 302.36972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C#CC1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O/c1-15(2)12-13-19-17-10-6-7-11-18(17)20(23)22(21-19)14-16-8-4-3-5-9-16/h3-11,15H,14H2,1-2H3