[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c26-21(24-19-11-12-19)20(17-5-2-1-3-6-17)28-22(27)18-9-7-16(8-10-18)15-25-14-4-13-23-25/h1-10,13-14,19-20H,11-12,15H2,(H,24,26)