methyl 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-pyridin-4-yl-pyrrole-2-carboxylate

Systemtic Name: methyl 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-pyridin-4-yl-pyrrole-2-carboxylate Openeye Name: methyl 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-(4-pyridyl)pyrrole-2-carboxylate CAS Name: 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methyl-1-piperazinyl)prop-1-ynyl]-4-pyridin-4-yl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-pyridin-4-ylpyrrole-2-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazino)prop-1-ynyl]-4-(4-pyridyl)pyrrole-2-carboxylic acid methyl ester Formula: C26H27FN4O2 MolecularWeight: 446.516583

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CC2=C(C(=C(N2C)C(=O)OC)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CN1CCN(CC1)CC#CC2=C(C(=C(N2C)C(=O)OC)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C26H27FN4O2/c1-29-15-17-31(18-16-29)14-4-5-22-23(20-10-12-28-13-11-20)24(19-6-8-21(27)9-7-19)25(30(22)2)26(32)33-3/h6-13H,14-18H2,1-3H3