4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-1-benzofuran-2-carbonitrile

Systemtic Name: 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-1-benzofuran-2-carbonitrile Openeye Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]benzofuran-2-carbonitrile CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-2-benzofurancarbonitrile IUPAC Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-1-benzofuran-2-carbonitrile Traditional Name: 4-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]coumarilonitrile Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=C(O3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=C(O3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c30-19-25-18-26-27(12-7-13-28(26)35-25)34-21-24(33)20-31-14-16-32(17-15-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,24,29,33H,14-17,20-21H2