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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

InChI

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