propan-2-yl 5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3/c1-13(2)28-21(27)18-14(3)19(23-15(18)4)20(26)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h5-8,13,23H,9-12H2,1-4H3