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

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[3-(5-methyl-1H-indol-3-yl)propylamino]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[3-(5-methyl-1H-indol-3-yl)propylamino]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[3-(5-methyl-1H-indol-3-yl)propylamino]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[3-(5-methyl-1H-indol-3-yl)propylamino]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[3-(5-methyl-1H-indol-3-yl)propylamino]propyl]phthalan-5-carbonitrile Formula: C30H30FN3O MolecularWeight: 467.577103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCCNCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCCNCCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H30FN3O/c1-21-5-12-29-27(16-21)23(19-34-29)4-2-14-33-15-3-13-30(25-7-9-26(31)10-8-25)28-11-6-22(18-32)17-24(28)20-35-30/h5-12,16-17,19,33-34H,2-4,13-15,20H2,1H3