1-[3-[4-(5-bromanyl-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-[3-[4-(5-bromanyl-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-[[3-(5-bromo-1H-indol-3-yl)-1-methyl-propyl]amino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-[[3-(5-bromo-1H-indol-3-yl)-1-methyl-propyl]amino]propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C30H29BrFN3O MolecularWeight: 546.473163

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CNC2=C1C=C(C=C2)Br)NCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

CC(CCC1=CNC2=C1C=C(C=C2)Br)NCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29BrFN3O/c1-20(3-5-22-18-35-29-12-8-25(31)16-27(22)29)34-14-2-13-30(24-6-9-26(32)10-7-24)28-11-4-21(17-33)15-23(28)19-36-30/h4,6-12,15-16,18,20,34-35H,2-3,5,13-14,19H2,1H3