2-pentyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-pentyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-pentyl-phthalazin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(4-benzylpiperazine-1-carbonyl)phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-2-3-9-14-29-24(30)22-13-8-7-12-21(22)23(26-29)25(31)28-17-15-27(16-18-28)19-20-10-5-4-6-11-20/h4-8,10-13H,2-3,9,14-19H2,1H3