1,3-bis[1-oxidanylidene-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea

Systemtic Name: 1,3-bis[1-oxidanylidene-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea Openeye Name: 1,3-bis[1-methyl-2-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]urea CAS Name: 1,3-bis[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea IUPAC Name: 1,3-bis[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea Traditional Name: 1,3-bis[2-keto-1-methyl-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]urea Formula: C23H48N10O3 MolecularWeight: 512.69242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCCNCCNCC1)NC(=O)NC(C)C(=O)N2CCNCCNCCNCC2

Isomeric SMILES

CC(C(=O)N1CCNCCNCCNCC1)NC(=O)NC(C)C(=O)N2CCNCCNCCNCC2

InChI

InChI=1S/C23H48N10O3/c1-19(21(34)32-15-11-26-7-3-24-4-8-27-12-16-32)30-23(36)31-20(2)22(35)33-17-13-28-9-5-25-6-10-29-14-18-33/h19-20,24-29H,3-18H2,1-2H3,(H2,30,31,36)