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

Systemtic Name: tert-butyl 4-(isoquinolin-5-ylmethyl)-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-(5-isoquinolylmethyl)piperazine-1-carboxylate CAS Name: 4-(5-isoquinolinylmethyl)-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-(isoquinolin-5-ylmethyl)piperazine-1-carboxylate Traditional Name: 2-benzyl-4-(5-isoquinolylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H31N3O2/c1-26(2,3)31-25(30)29-15-14-28(19-23(29)16-20-8-5-4-6-9-20)18-22-11-7-10-21-17-27-13-12-24(21)22/h4-13,17,23H,14-16,18-19H2,1-3H3