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

Systemtic Name: ethyl (2S)-2-[(3-cyanophenyl)carbonylamino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: ethyl (2S)-2-[(3-cyanobenzoyl)amino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: (2S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3-cyanobenzoyl)amino]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: (2S)-2-[(3-cyanobenzoyl)amino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid ethyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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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=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c1-4-30-23(29)21(25-22(28)18-10-8-9-17(13-18)14-24)20-15(2)26-27(16(20)3)19-11-6-5-7-12-19/h5-13,21H,4H2,1-3H3,(H,25,28)/t21-/m0/s1