N-[7-(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]methanamide

Systemtic Name: N-[7-(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]methanamide Openeye Name: N-[7-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]formamide CAS Name: N-[7-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]formamide IUPAC Name: N-[7-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]formamide Traditional Name: N-[7-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-1,4,7,10-tetrazacyclododec-1-yl]formamide Formula: C16H33N5O4 MolecularWeight: 359.46432

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(CO1)O)N2CCNCCN(CCNCC2)NC=O)C

Isomeric SMILES

CC1(OCC(C(CO1)O)N2CCNCCN(CCNCC2)NC=O)C

InChI

InChI=1S/C16H33N5O4/c1-16(2)24-11-14(15(23)12-25-16)20-7-3-17-5-9-21(19-13-22)10-6-18-4-8-20/h13-15,17-18,23H,3-12H2,1-2H3,(H,19,22)