methyl 6-[(1,3-diphenylpyrazol-4-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(1,3-diphenylpyrazol-4-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(1,3-diphenylpyrazole-4-carbonyl)amino]hexanoate CAS Name: 6-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-diphenylpyrazole-4-carbonyl)amino]hexanoate Traditional Name: 6-[(1,3-diphenylpyrazole-4-carbonyl)amino]hexanoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-29-21(27)15-9-4-10-16-24-23(28)20-17-26(19-13-7-3-8-14-19)25-22(20)18-11-5-2-6-12-18/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3,(H,24,28)