4,7-dimethyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecan-12-ol

Systemtic Name: 4,7-dimethyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecan-12-ol Openeye Name: 1,10-dibenzyl-4,7-dimethyl-1,4,7,10-tetrazacyclotridecan-12-ol CAS Name: 4,7-dimethyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecan-12-ol IUPAC Name: 1,10-dibenzyl-4,7-dimethyl-1,4,7,10-tetrazacyclotridecan-12-ol Traditional Name: 1,10-dibenzyl-4,7-dimethyl-1,4,7,10-tetrazacyclotridecan-12-ol Formula: C25H38N4O MolecularWeight: 410.59542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CC(CN(CC1)CC2=CC=CC=C2)O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1CCN(CCN(CC(CN(CC1)CC2=CC=CC=C2)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H38N4O/c1-26-13-14-27(2)16-18-29(20-24-11-7-4-8-12-24)22-25(30)21-28(17-15-26)19-23-9-5-3-6-10-23/h3-12,25,30H,13-22H2,1-2H3