N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5O2/c1-15(16-7-9-17(10-8-16)27-12-11-23-14-27)24-21(28)13-20-18-5-3-4-6-19(18)22(29)26(2)25-20/h3-12,14-15H,13H2,1-2H3,(H,24,28)/t15-/m0/s1