4-[3-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]propoxy]benzonitrile Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNCC(COC2=CC=C(C=C2)C#N)O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNCC(COC2=CC=C(C=C2)C#N)O)N3CCCCC3

InChI

InChI=1S/C24H31N3O3/c1-29-22-11-7-20(8-12-22)24(27-13-3-2-4-14-27)17-26-16-21(28)18-30-23-9-5-19(15-25)6-10-23/h5-12,21,24,26,28H,2-4,13-14,16-18H2,1H3