4-bromanyl-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol

Systemtic Name: 4-bromanyl-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol Openeye Name: 4-bromo-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol CAS Name: 4-bromo-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol IUPAC Name: 4-bromo-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol Traditional Name: 4-bromo-2-(1,5,9-triazacyclododec-3-ylmethyl)phenol Formula: C16H26BrN3O MolecularWeight: 356.30114

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCNCC(CNC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1CNCCCNCC(CNC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H26BrN3O/c17-15-3-4-16(21)14(10-15)9-13-11-19-7-1-5-18-6-2-8-20-12-13/h3-4,10,13,18-21H,1-2,5-9,11-12H2