methyl 4-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[oxo(1H-pyrrol-2-yl)methyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-[4-(1H-pyrrole-2-carbonyl)piperazino]-3-(trifluoromethyl)benzoic acid methyl ester Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CN3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CN3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c1-27-17(26)12-4-5-15(13(11-12)18(19,20)21)23-7-9-24(10-8-23)16(25)14-3-2-6-22-14/h2-6,11,22H,7-10H2,1H3