[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H24N4O3 MolecularWeight: 404.46166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H24N4O3/c1-18(22(28)26-16-14-25(15-17-26)20-6-3-2-4-7-20)30-23(29)19-8-10-21(11-9-19)27-13-5-12-24-27/h2-13,18H,14-17H2,1H3