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

Systemtic Name: ethyl 3-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate CAS Name: 3-[[3-(3-cyano-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate Traditional Name: 3-[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(=CC=C1)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

Isomeric SMILES

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

InChI

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