ethyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-phenyl-methyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-phenyl-methyl]amino]benzoate Openeye Name: ethyl 4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-phenyl-methyl]amino]benzoate CAS Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-phenylmethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-phenylmethyl]amino]benzoate Traditional Name: 4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-phenyl-methyl]amino]benzoic acid ethyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H27N3O3/c1-4-33-27(32)21-15-17-22(18-16-21)28-25(20-11-7-5-8-12-20)24-19(2)29(3)30(26(24)31)23-13-9-6-10-14-23/h5-18,25,28H,4H2,1-3H3