4-[(4-fluorophenyl)methyl]-2-[1-(phenylmethyl)azepan-4-yl]phthalazin-1-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-2-[1-(phenylmethyl)azepan-4-yl]phthalazin-1-one Openeye Name: 2-(1-benzylazepan-4-yl)-4-[(4-fluorophenyl)methyl]phthalazin-1-one CAS Name: 4-[(4-fluorophenyl)methyl]-2-[1-(phenylmethyl)-4-azepanyl]-1-phthalazinone IUPAC Name: 2-(1-benzylazepan-4-yl)-4-[(4-fluorophenyl)methyl]phthalazin-1-one Traditional Name: 2-(1-benzylazepan-4-yl)-4-(4-fluorobenzyl)phthalazin-1-one Formula: C28H28FN3O MolecularWeight: 441.539823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN3O/c29-23-14-12-21(13-15-23)19-27-25-10-4-5-11-26(25)28(33)32(30-27)24-9-6-17-31(18-16-24)20-22-7-2-1-3-8-22/h1-5,7-8,10-15,24H,6,9,16-20H2