3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one

Systemtic Name: 3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one CAS Name: 3-(3-fluorophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolyl)-1-propanone IUPAC Name: 3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 3-(3-fluorophenyl)-1-[4-(2-pyrimidyl)piperazino]-3-pyrrol-1-yl-propan-1-one Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC(C3=CC(=CC=C3)F)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC(C3=CC(=CC=C3)F)N4C=CC=C4

InChI

InChI=1S/C21H22FN5O/c22-18-6-3-5-17(15-18)19(25-9-1-2-10-25)16-20(28)26-11-13-27(14-12-26)21-23-7-4-8-24-21/h1-10,15,19H,11-14,16H2