tert-butyl 4-(3-azanylpropyl)-7-(phenylmethyl)-1,4,7-triazonane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanylpropyl)-7-(phenylmethyl)-1,4,7-triazonane-1-carboxylate Openeye Name: tert-butyl 4-(3-aminopropyl)-7-benzyl-1,4,7-triazonane-1-carboxylate CAS Name: 4-(3-aminopropyl)-7-(phenylmethyl)-1,4,7-triazonane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-aminopropyl)-7-benzyl-1,4,7-triazonane-1-carboxylate Traditional Name: 4-(3-aminopropyl)-7-benzyl-1,4,7-triazonane-1-carboxylic acid tert-butyl ester Formula: C21H36N4O2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CC1)CC2=CC=CC=C2)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CC1)CC2=CC=CC=C2)CCCN

InChI

InChI=1S/C21H36N4O2/c1-21(2,3)27-20(26)25-16-14-23(11-7-10-22)12-13-24(15-17-25)18-19-8-5-4-6-9-19/h4-6,8-9H,7,10-18,22H2,1-3H3