1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazino]propyl]phthalan-5-carbonitrile Formula: C29H30FN3O2 MolecularWeight: 471.565803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC3(C4=C(CO3)C=C(C=C4)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H30FN3O2/c1-34-28-6-3-2-5-27(28)33-17-15-32(16-18-33)14-4-13-29(24-8-10-25(30)11-9-24)26-12-7-22(20-31)19-23(26)21-35-29/h2-3,5-12,19H,4,13-18,21H2,1H3