2-diethylaminoethyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H31FN4O3/c1-4-34(5-2)18-19-38-30(37)23-10-14-25(15-11-23)32-29(36)27-20-35(26-16-12-24(31)13-17-26)33-28(27)22-8-6-21(3)7-9-22/h6-17,20H,4-5,18-19H2,1-3H3,(H,32,36)