4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-33-21-15-13-20(14-16-21)24-12-7-17-29(24)27(32)25-22-10-5-6-11-23(22)26(31)30(28-25)18-19-8-3-2-4-9-19/h2-6,8-11,13-16,24H,7,12,17-18H2,1H3