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

Systemtic Name: 2,7-bis(azepan-1-ylmethyl)-1,8-diphenyl-octane-1,8-dione Openeye Name: 2,7-bis(azepan-1-ylmethyl)-1,8-diphenyl-octane-1,8-dione CAS Name: 2,7-bis(1-azepanylmethyl)-1,8-diphenyloctane-1,8-dione IUPAC Name: 2,7-bis(azepan-1-ylmethyl)-1,8-diphenyloctane-1,8-dione Traditional Name: 2,7-bis(azepan-1-ylmethyl)-1,8-diphenyl-octane-1,8-dione Formula: C34H48N2O2 MolecularWeight: 516.75712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O2/c37-33(29-17-7-5-8-18-29)31(27-35-23-13-1-2-14-24-35)21-11-12-22-32(28-36-25-15-3-4-16-26-36)34(38)30-19-9-6-10-20-30/h5-10,17-20,31-32H,1-4,11-16,21-28H2