tert-butyl 2-[(1-methylindol-3-yl)methyl]-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(1-methylindol-3-yl)methyl]-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-2-[(1-methylindol-3-yl)methyl]piperazine-1-carboxylate CAS Name: 2-[(1-methyl-3-indolyl)methyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-2-[(1-methylindol-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-benzyl-2-[(1-methylindol-3-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CN(C3=CC=CC=C32)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2=CN(C3=CC=CC=C32)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-26(2,3)31-25(30)29-15-14-28(17-20-10-6-5-7-11-20)19-22(29)16-21-18-27(4)24-13-9-8-12-23(21)24/h5-13,18,22H,14-17,19H2,1-4H3