ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]ethanoate

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]ethanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]acetate CAS Name: (2S)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]acetate Traditional Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]acetic acid ethyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H25N5O4/c1-5-34-25(33)22(20-15(2)27-30(16(20)3)17-11-7-6-8-12-17)26-23(31)21-18-13-9-10-14-19(18)24(32)29(4)28-21/h6-14,22H,5H2,1-4H3,(H,26,31)/t22-/m0/s1