propan-2-yl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C23H30N4O3/c1-16(2)30-23(29)15-21(19-9-6-5-7-10-19)25-22(28)12-11-20-17(3)26-27(18(20)4)14-8-13-24/h5-7,9-10,16,21H,8,11-12,14-15H2,1-4H3,(H,25,28)