3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol

Systemtic Name: 3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Openeye Name: 3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol CAS Name: 3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol IUPAC Name: 3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Traditional Name: 3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC(CO)O)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCN(CCN1CC(CO)O)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H31N5O2/c22-17-1-5-19(6-2-17)25-11-9-24(15-21(28)16-27)10-12-26(14-13-25)20-7-3-18(23)4-8-20/h1-8,21,27-28H,9-16,22-23H2