tert-butyl 4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-9-8-19(15(21)12-20)11-14-6-4-13(10-18)5-7-14/h4-7H,8-9,11-12H2,1-3H3