4-(4-ethylphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

Systemtic Name: 4-(4-ethylphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Openeye Name: 4-(4-ethylphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one CAS Name: 4-(4-ethylphenyl)-2-[2-(1-imidazolyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-ethylphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Traditional Name: 4-(4-ethylphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

InChI

InChI=1S/C21H20N4O/c1-2-16-7-9-17(10-8-16)20-18-5-3-4-6-19(18)21(26)25(23-20)14-13-24-12-11-22-15-24/h3-12,15H,2,13-14H2,1H3