tert-butyl 4-(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-9-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-9-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-9-yl)piperazine-1-carboxylate CAS Name: 4-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-9-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-9-yl)piperazine-1-carboxylate Traditional Name: 4-(5-keto-6,7,8,9-tetrahydrobenzocyclohepten-9-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCCC(=O)C3=CC=CC=C23

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCCC(=O)C3=CC=CC=C23

InChI

InChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-13-11-21(12-14-22)17-9-6-10-18(23)16-8-5-4-7-15(16)17/h4-5,7-8,17H,6,9-14H2,1-3H3