2-[2-azanyl-2-(2,5-dimethylphenyl)ethyl]phthalazin-1-one

Systemtic Name: 2-[2-azanyl-2-(2,5-dimethylphenyl)ethyl]phthalazin-1-one Openeye Name: 2-[2-amino-2-(2,5-dimethylphenyl)ethyl]phthalazin-1-one CAS Name: 2-[2-amino-2-(2,5-dimethylphenyl)ethyl]-1-phthalazinone IUPAC Name: 2-[2-amino-2-(2,5-dimethylphenyl)ethyl]phthalazin-1-one Traditional Name: 2-[2-amino-2-(2,5-dimethylphenyl)ethyl]phthalazin-1-one Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CN2C(=O)C3=CC=CC=C3C=N2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CN2C(=O)C3=CC=CC=C3C=N2)N

InChI

InChI=1S/C18H19N3O/c1-12-7-8-13(2)16(9-12)17(19)11-21-18(22)15-6-4-3-5-14(15)10-20-21/h3-10,17H,11,19H2,1-2H3