4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazin-1-one Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=C(N(C(=C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=C(N(C(=C4)C)C)C

InChI

InChI=1S/C25H25N3O2/c1-15-10-11-16(2)21(12-15)24-19-8-6-7-9-20(19)25(30)28(26-24)14-23(29)22-13-17(3)27(5)18(22)4/h6-13H,14H2,1-5H3