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

Systemtic Name: tert-butyl 4-[3-[[4-(cyanomethyl)phenyl]-methyl-amino]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(cyanomethyl)-N-methyl-anilino]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(cyanomethyl)-N-methylanilino]-2-hydroxypropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(cyanomethyl)-N-methylanilino]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(cyanomethyl)-N-methyl-anilino]-2-hydroxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-21(2,3)28-20(27)25-13-11-24(12-14-25)16-19(26)15-23(4)18-7-5-17(6-8-18)9-10-22/h5-8,19,26H,9,11-16H2,1-4H3