[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)C

InChI

InChI=1S/C23H23N3O3/c1-15-14-16(2)26(25-15)20-12-8-18(9-13-20)23(28)29-21(17-6-4-3-5-7-17)22(27)24-19-10-11-19/h3-9,12-14,19,21H,10-11H2,1-2H3,(H,24,27)