2-[(2S)-2-azanyl-2-(4-methylphenyl)ethyl]phthalazin-1-one

Systemtic Name: 2-[(2S)-2-azanyl-2-(4-methylphenyl)ethyl]phthalazin-1-one Openeye Name: 2-[(2S)-2-amino-2-(p-tolyl)ethyl]phthalazin-1-one CAS Name: 2-[(2S)-2-amino-2-(4-methylphenyl)ethyl]-1-phthalazinone IUPAC Name: 2-[(2S)-2-amino-2-(4-methylphenyl)ethyl]phthalazin-1-one Traditional Name: 2-[(2S)-2-amino-2-(p-tolyl)ethyl]phthalazin-1-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2C(=O)C3=CC=CC=C3C=N2)N

InChI

InChI=1S/C17H17N3O/c1-12-6-8-13(9-7-12)16(18)11-20-17(21)15-5-3-2-4-14(15)10-19-20/h2-10,16H,11,18H2,1H3/t16-/m1/s1