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

Systemtic Name: 3-[4,7-bis(4-azanyl-3-methyl-phenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Openeye Name: 3-[4,7-bis(4-amino-3-methyl-phenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol CAS Name: 3-[4,7-bis(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol IUPAC Name: 3-[4,7-bis(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Traditional Name: 3-[4,7-bis(4-amino-3-methyl-phenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CCN(CC2)C3=CC(=C(C=C3)N)C)CC(CO)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CCN(CC2)C3=CC(=C(C=C3)N)C)CC(CO)O)N

InChI

InChI=1S/C23H35N5O2/c1-17-13-19(3-5-22(17)24)27-9-7-26(15-21(30)16-29)8-10-28(12-11-27)20-4-6-23(25)18(2)14-20/h3-6,13-14,21,29-30H,7-12,15-16,24-25H2,1-2H3