methyl 4-[(1,3-diphenylpyrazol-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(1,3-diphenylpyrazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]butanoate CAS Name: 4-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]butanoate Traditional Name: 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]butyric acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-27-19(25)13-8-14-22-21(26)18-15-24(17-11-6-3-7-12-17)23-20(18)16-9-4-2-5-10-16/h2-7,9-12,15H,8,13-14H2,1H3,(H,22,26)