19,28-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-tetrone

Systemtic Name: 19,28-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-tetrone Openeye Name: 19,28-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-tetrone CAS Name: 19,28-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-tetrone IUPAC Name: 19,28-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-tetrone Traditional Name: 19,28-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane-2,9,18,29-diquinone Formula: C46H72N4O4 MolecularWeight: 745.08828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(C(=O)CCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCC(=O)N(CCC1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCCN(C(=O)CCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCC(=O)N(CCC1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C46H72N4O4/c51-43-31-19-7-8-20-32-44(52)48-36-24-10-4-6-22-34-46(54)50(40-42-29-17-14-18-30-42)38-26-12-2-1-11-25-37-49(39-41-27-15-13-16-28-41)45(53)33-21-5-3-9-23-35-47-43/h13-18,27-30H,1-12,19-26,31-40H2,(H,47,51)(H,48,52)