2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione

Systemtic Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione Openeye Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione CAS Name: 2,7-bis(1-azepanylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione IUPAC Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione Traditional Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione Formula: C34H46F2N2O2 MolecularWeight: 552.738046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)CC(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C34H46F2N2O2/c35-31-17-13-27(14-18-31)33(39)29(25-37-21-7-1-2-8-22-37)11-5-6-12-30(26-38-23-9-3-4-10-24-38)34(40)28-15-19-32(36)20-16-28/h13-20,29-30H,1-12,21-26H2