[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3/c30-25(19-32-26(31)22-12-14-23(15-13-22)29-17-7-16-28-29)27-18-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-17,24H,18-19H2,(H,27,30)