tert-butyl 4-[3-[[4-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(cyanomethyl)anilino]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(cyanomethyl)anilino]-2-hydroxypropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(cyanomethyl)anilino]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(cyanomethyl)anilino]-2-hydroxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(CNC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(CNC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C20H30N4O3/c1-20(2,3)27-19(26)24-12-10-23(11-13-24)15-18(25)14-22-17-6-4-16(5-7-17)8-9-21/h4-7,18,22,25H,8,10-15H2,1-3H3