1-(4-ethylpiperazin-1-yl)-4-(5-fluoranyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-(5-fluoranyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-[5-fluoro-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[5-fluoro-2-(2-quinolinyl)-1H-indol-3-yl]-1-butanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-ethylpiperazino)-4-[5-fluoro-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one Formula: C27H29FN4O MolecularWeight: 444.543763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)F)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)F)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29FN4O/c1-2-31-14-16-32(17-15-31)26(33)9-5-7-21-22-18-20(28)11-13-24(22)30-27(21)25-12-10-19-6-3-4-8-23(19)29-25/h3-4,6,8,10-13,18,30H,2,5,7,9,14-17H2,1H3