tert-butyl 4-isoquinolin-5-yl-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-isoquinolin-5-yl-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-(5-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinyl)-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-isoquinolin-5-ylpiperazine-1-carboxylate Traditional Name: 2-benzyl-4-(5-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H29N3O2/c1-25(2,3)30-24(29)28-15-14-27(18-21(28)16-19-8-5-4-6-9-19)23-11-7-10-20-17-26-13-12-22(20)23/h4-13,17,21H,14-16,18H2,1-3H3