(2S)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]-N-phenyl-propanamide CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]-N-phenylpropanamide Traditional Name: (2S)-2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]-N-phenyl-propionamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C(C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)[C@@H](C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-16-13-14-17(2)22(15-16)23-20-11-7-8-12-21(20)25(30)28(27-23)18(3)24(29)26-19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,26,29)/t18-/m0/s1