ethanoic acid; 5-[4-fluoranyl-3-[(4-methyl-2-pyridin-3-yl-piperazin-1-yl)methyl]phenyl]-1H-indole

Systemtic Name: ethanoic acid; 5-[4-fluoranyl-3-[(4-methyl-2-pyridin-3-yl-piperazin-1-yl)methyl]phenyl]-1H-indole Openeye Name: acetic acid; 5-[4-fluoro-3-[[4-methyl-2-(3-pyridyl)piperazin-1-yl]methyl]phenyl]-1H-indole CAS Name: acetic acid; 5-[4-fluoro-3-[[4-methyl-2-(3-pyridinyl)-1-piperazinyl]methyl]phenyl]-1H-indole IUPAC Name: acetic acid; 5-[4-fluoro-3-[(4-methyl-2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-indole Traditional Name: acetic acid; 5-[4-fluoro-3-[[4-methyl-2-(3-pyridyl)piperazino]methyl]phenyl]-1H-indole Formula: C27H29FN4O2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1CCN(C(C1)C2=CN=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)NC=C5)F

Isomeric SMILES

CC(=O)O.CN1CCN(C(C1)C2=CN=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)NC=C5)F

InChI

InChI=1S/C25H25FN4.C2H4O2/c1-29-11-12-30(25(17-29)21-3-2-9-27-15-21)16-22-14-18(4-6-23(22)26)19-5-7-24-20(13-19)8-10-28-24;1-2(3)4/h2-10,13-15,25,28H,11-12,16-17H2,1H3;1H3,(H,3,4)