2-[3-[4-(2-ethoxy-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]-2-oxidanyl-propyl]-7-methyl-phthalazin-1-one

Systemtic Name: 2-[3-[4-(2-ethoxy-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]-2-oxidanyl-propyl]-7-methyl-phthalazin-1-one Openeye Name: 2-[3-[4-(2-ethoxy-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl)phenyl]-2-hydroxy-propyl]-7-methyl-phthalazin-1-one CAS Name: 2-[3-[4-[2-ethoxy-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]phenyl]-2-hydroxypropyl]-7-methyl-1-phthalazinone IUPAC Name: 2-[3-[4-(2-ethoxy-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-hydroxypropyl]-7-methylphthalazin-1-one Traditional Name: 2-[3-[4-(2-ethoxy-3-keto-2-methyl-3-pyrrolidino-propyl)phenyl]-2-hydroxy-propyl]-7-methyl-phthalazin-1-one Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(CC1=CC=C(C=C1)CC(CN2C(=O)C3=C(C=CC(=C3)C)C=N2)O)C(=O)N4CCCC4

Isomeric SMILES

CCOC(C)(CC1=CC=C(C=C1)CC(CN2C(=O)C3=C(C=CC(=C3)C)C=N2)O)C(=O)N4CCCC4

InChI

InChI=1S/C28H35N3O4/c1-4-35-28(3,27(34)30-13-5-6-14-30)17-22-10-8-21(9-11-22)16-24(32)19-31-26(33)25-15-20(2)7-12-23(25)18-29-31/h7-12,15,18,24,32H,4-6,13-14,16-17,19H2,1-3H3