2-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-5-piperazin-1-ylcarbonyl-benzenecarbonitrile

Systemtic Name: 2-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-5-piperazin-1-ylcarbonyl-benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-5-(piperazine-1-carbonyl)benzonitrile CAS Name: 2-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-5-[oxo(1-piperazinyl)methyl]benzonitrile IUPAC Name: 2-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-5-(piperazine-1-carbonyl)benzonitrile Traditional Name: 2-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-5-(piperazine-1-carbonyl)benzonitrile Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C(=O)N3CCNCC3)C#N)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C(=O)N3CCNCC3)C#N)O

InChI

InChI=1S/C26H34N4O4/c1-26(2,15-19-4-7-23(33-3)8-5-19)29-17-22(31)18-34-24-9-6-20(14-21(24)16-27)25(32)30-12-10-28-11-13-30/h4-9,14,22,28-29,31H,10-13,15,17-18H2,1-3H3