2-(phenylmethyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]carbonyl-phthalazin-1-one hydrochloride

Systemtic Name: 2-(phenylmethyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]carbonyl-phthalazin-1-one hydrochloride Openeye Name: 2-benzyl-4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one hydrochloride CAS Name: 4-[oxo-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone hydrochloride IUPAC Name: 2-benzyl-4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one hydrochloride Traditional Name: 2-benzyl-4-[4-(2-pyrrolidinoethyl)piperazine-1-carbonyl]phthalazin-1-one hydrochloride Formula: C26H32ClN5O2 MolecularWeight: 482.01758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5.Cl

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C26H31N5O2.ClH/c32-25-23-11-5-4-10-22(23)24(27-31(25)20-21-8-2-1-3-9-21)26(33)30-18-16-29(17-19-30)15-14-28-12-6-7-13-28;/h1-5,8-11H,6-7,12-20H2;1H