methyl 4-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-16-9-6-7-12-18(16)21-19(22(27)23-14-8-13-20(26)28-2)15-25(24-21)17-10-4-3-5-11-17/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,27)