ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrole-3-carboxylate CAS Name: 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methyl-1-piperazinyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazino)methyl]pyrrole-3-carboxylic acid ethyl ester Formula: C26H29BrFN3O2 MolecularWeight: 514.429763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)F)CN3CCN(CC3)C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)F)CN3CCN(CC3)C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H29BrFN3O2/c1-4-33-26(32)24-18(2)31(22-11-7-20(27)8-12-22)23(17-30-15-13-29(3)14-16-30)25(24)19-5-9-21(28)10-6-19/h5-12H,4,13-17H2,1-3H3