methyl 7-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]heptanoate CAS Name: 7-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]heptanoate Traditional Name: 7-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]enanthic acid methyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C21H29N3O3/c1-16-19(17(2)24(23-16)18-11-7-6-8-12-18)15-20(25)22-14-10-5-4-9-13-21(26)27-3/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,22,25)