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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H21N3O3/c1-2-23(15-17-7-4-3-5-8-17)20(25)16-27-21(26)18-9-11-19(12-10-18)24-14-6-13-22-24/h3-14H,2,15-16H2,1H3