4-(2,5-dimethylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-(2-keto-2-pyrrolidino-ethyl)phthalazin-1-one Formula: C22H23N3O2 MolecularWeight: 361.43692

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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)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O2/c1-15-9-10-16(2)19(13-15)21-17-7-3-4-8-18(17)22(27)25(23-21)14-20(26)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3