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

Systemtic Name: tert-butyl 4-isoquinolin-5-yl-2-(2-methylpropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-isobutyl-4-(5-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinyl)-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-isoquinolin-5-yl-2-(2-methylpropyl)piperazine-1-carboxylate Traditional Name: 2-isobutyl-4-(5-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H31N3O2/c1-16(2)13-18-15-24(11-12-25(18)21(26)27-22(3,4)5)20-8-6-7-17-14-23-10-9-19(17)20/h6-10,14,16,18H,11-13,15H2,1-5H3