tert-butyl 4-isoquinolin-5-yl-2-propan-2-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-isoquinolin-5-yl-2-propan-2-yl-piperazine-1-carboxylate Openeye Name: tert-butyl 2-isopropyl-4-(5-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinyl)-2-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-isoquinolin-5-yl-2-propan-2-ylpiperazine-1-carboxylate Traditional Name: 2-isopropyl-4-(5-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H29N3O2/c1-15(2)19-14-23(11-12-24(19)20(25)26-21(3,4)5)18-8-6-7-16-13-22-10-9-17(16)18/h6-10,13,15,19H,11-12,14H2,1-5H3