1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[4-[3-(5-methyl-1H-indol-3-yl)propylamino]butyl]phthalan-5-carbonitrile Formula: C31H32FN3O MolecularWeight: 481.603683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCCNCCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCCNCCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H32FN3O/c1-22-6-13-30-28(17-22)24(20-35-30)5-4-16-34-15-3-2-14-31(26-8-10-27(32)11-9-26)29-12-7-23(19-33)18-25(29)21-36-31/h6-13,17-18,20,34-35H,2-5,14-16,21H2,1H3