ethyl 4-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate CAS Name: 4-[[3-(3-cyano-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate Traditional Name: 4-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoic acid ethyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

InChI

InChI=1S/C21H21N5O3/c1-4-29-21(28)15-5-7-17(8-6-15)25-19(27)10-9-18-13(2)24-20-16(11-22)12-23-26(20)14(18)3/h5-8,12H,4,9-10H2,1-3H3,(H,25,27)