8-[4-[4-(5-fluoranyl-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline

Systemtic Name: 8-[4-[4-(5-fluoranyl-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline Openeye Name: 8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline CAS Name: 8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline IUPAC Name: 8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline Traditional Name: 8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-1,4-diazepan-1-yl]quinoline Formula: C28H31FN4 MolecularWeight: 442.570943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=CC3=C2N=CC=C3)C4CCC(CC4)C5=CNC6=C5C=C(C=C6)F

Isomeric SMILES

C1CN(CCN(C1)C2=CC=CC3=C2N=CC=C3)C4CCC(CC4)C5=CNC6=C5C=C(C=C6)F

InChI

InChI=1S/C28H31FN4/c29-22-9-12-26-24(18-22)25(19-31-26)20-7-10-23(11-8-20)32-14-3-15-33(17-16-32)27-6-1-4-21-5-2-13-30-28(21)27/h1-2,4-6,9,12-13,18-20,23,31H,3,7-8,10-11,14-17H2