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

Systemtic Name: 2-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]-5-piperazin-1-ylcarbonyl-benzenecarbonitrile Openeye Name: 2-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-5-(piperazine-1-carbonyl)benzonitrile CAS Name: 2-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]-5-[oxo(1-piperazinyl)methyl]benzonitrile IUPAC Name: 2-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]-5-(piperazine-1-carbonyl)benzonitrile Traditional Name: 2-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-5-(piperazine-1-carbonyl)benzonitrile Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)C(=O)N4CCNCC4)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)C(=O)N4CCNCC4)C#N)O

InChI

InChI=1S/C29H34N4O3/c1-29(2,17-21-7-8-22-5-3-4-6-23(22)15-21)32-19-26(34)20-36-27-10-9-24(16-25(27)18-30)28(35)33-13-11-31-12-14-33/h3-10,15-16,26,31-32,34H,11-14,17,19-20H2,1-2H3