3-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-fluoranyl-1H-indol-3-yl]propanenitrile

Systemtic Name: 3-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-fluoranyl-1H-indol-3-yl]propanenitrile Openeye Name: 3-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-5-fluoro-1H-indol-3-yl]propanenitrile CAS Name: 3-[2-[1-amino-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-fluoro-1H-indol-3-yl]propanenitrile IUPAC Name: 3-[2-(1-amino-2-benzyl-3-phenylpropan-2-yl)-5-fluoro-1H-indol-3-yl]propanenitrile Traditional Name: 3-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-5-fluoro-1H-indol-3-yl]propionitrile Formula: C27H26FN3 MolecularWeight: 411.513843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CN)C3=C(C4=C(N3)C=CC(=C4)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CN)C3=C(C4=C(N3)C=CC(=C4)F)CCC#N

InChI

InChI=1S/C27H26FN3/c28-22-13-14-25-24(16-22)23(12-7-15-29)26(31-25)27(19-30,17-20-8-3-1-4-9-20)18-21-10-5-2-6-11-21/h1-6,8-11,13-14,16,31H,7,12,17-19,30H2