methyl 7-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]heptanoate CAS Name: 7-[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]heptanoate Traditional Name: 7-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]enanthic acid methyl ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCCCCC(=O)OC)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCCCCC(=O)OC)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C20H26ClN3O3/c1-15-18(19(21)24(23-15)14-16-10-6-5-7-11-16)20(26)22-13-9-4-3-8-12-17(25)27-2/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,22,26)