tert-butyl 2-(1H-indol-3-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(1H-indol-3-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate CAS Name: 2-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-benzyl-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-25(2,3)30-24(29)28-14-13-27(17-19-9-5-4-6-10-19)18-21(28)15-20-16-26-23-12-8-7-11-22(20)23/h4-12,16,21,26H,13-15,17-18H2,1-3H3