tert-butyl 2-(naphthalen-2-ylmethyl)-3-oxidanylidene-4-phenethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(naphthalen-2-ylmethyl)-3-oxidanylidene-4-phenethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-naphthylmethyl)-3-oxo-4-phenethyl-piperazine-1-carboxylate CAS Name: 2-(2-naphthalenylmethyl)-3-oxo-4-phenethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(naphthalen-2-ylmethyl)-3-oxo-4-phenethylpiperazine-1-carboxylate Traditional Name: 3-keto-2-(2-naphthylmethyl)-4-phenethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC3=CC=CC=C3C=C2)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC3=CC=CC=C3C=C2)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O3/c1-28(2,3)33-27(32)30-18-17-29(16-15-21-9-5-4-6-10-21)26(31)25(30)20-22-13-14-23-11-7-8-12-24(23)19-22/h4-14,19,25H,15-18,20H2,1-3H3