ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl-(1H-pyrazol-5-ylcarbonyl)amino]benzoate

Systemtic Name: ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl-(1H-pyrazol-5-ylcarbonyl)amino]benzoate Openeye Name: ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl-(1H-pyrazole-5-carbonyl)amino]benzoate CAS Name: 3-[(3-cyano-4-phenylphenyl)methyl-[oxo(1H-pyrazol-5-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyano-4-phenylphenyl)methyl-(1H-pyrazole-5-carbonyl)amino]benzoate Traditional Name: 3-[(3-cyano-4-phenyl-benzyl)-(1H-pyrazole-5-carbonyl)amino]benzoic acid ethyl ester Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)C4=CC=NN4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)C4=CC=NN4

InChI

InChI=1S/C27H22N4O3/c1-2-34-27(33)21-9-6-10-23(16-21)31(26(32)25-13-14-29-30-25)18-19-11-12-24(22(15-19)17-28)20-7-4-3-5-8-20/h3-16H,2,18H2,1H3,(H,29,30)