tert-butyl 4-[3-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]amino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]amino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-benzylpiperazin-1-yl)amino]-3-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[3-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-benzylpiperazin-1-yl)amino]-3-oxopropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-benzylpiperazino)amino]-3-keto-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H37N5O3 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)NN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)NN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H37N5O3/c1-23(2,3)31-22(30)27-15-11-25(12-16-27)10-9-21(29)24-28-17-13-26(14-18-28)19-20-7-5-4-6-8-20/h4-8H,9-19H2,1-3H3,(H,24,29)