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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C17H21N3O3/c1-2-3-4-10-18-16(21)13-23-17(22)14-6-8-15(9-7-14)20-12-5-11-19-20/h5-9,11-12H,2-4,10,13H2,1H3,(H,18,21)