ethyl 4-[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-(4-chlorophenyl)-4-phenyl-2-pyrazoline-1-carbonyl]amino]benzoic acid ethyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O3/c1-2-32-24(30)19-10-14-21(15-11-19)27-25(31)29-16-22(17-6-4-3-5-7-17)23(28-29)18-8-12-20(26)13-9-18/h3-15,22H,2,16H2,1H3,(H,27,31)